data_1ug2_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 1ug2 _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 ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' ASP . 3.6 tpt180 -46.82 -62.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -39.34 -55.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.72 62.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.9 m-20 -69.09 -37.24 78.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -66.36 -55.92 13.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.3 t -42.66 -45.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.423 ' CG1' HG23 ' A' ' 61' ' ' ILE . 48.9 mt -48.3 -61.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' GLN . 47.3 mt -55.91 -49.15 74.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.0 m -51.09 -61.96 1.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.428 ' HE3' ' CG1' ' A' ' 60' ' ' VAL . 97.4 mmm -61.13 -50.77 71.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ALA . 58.0 m -59.46 -17.67 33.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LEU . 33.9 tt0 -90.5 -62.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.65 -59.99 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -33.72 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.7 146.25 10.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.586 1.179 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -74.92 58.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.459 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -83.97 169.35 17.33 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.95 -48.13 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -36.33 76.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -45.71 -43.72 13.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -51.82 -20.18 2.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -74.46 -16.37 60.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.428 ' CG1' ' HE3' ' A' ' 47' ' ' MET . 20.3 t -84.8 -63.67 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.429 HG21 ' CD2' ' A' ' 65' ' ' LEU . 4.0 mt -48.61 -51.42 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -40.25 -40.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -79.64 -40.05 30.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' ILE . 12.5 mm100 -59.36 -40.56 86.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.429 ' CD2' HG21 ' A' ' 61' ' ' ILE . 6.2 mt -54.46 -54.13 44.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.2 -64.17 0.34 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -141.51 19.1 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' CD ' HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -69.85 179.78 2.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.3 p -129.24 160.26 64.88 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -16.72 20.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.9 p -83.8 -30.29 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -86.52 -46.46 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.7 t -49.39 -41.21 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 t -69.86 -44.22 70.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.033 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -33.51 66.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -78.12 -44.6 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 53' ' ' ALA . 10.6 t80 -61.5 -48.01 83.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -24.9 67.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -83.04 -41.04 19.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.7 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -40.63 -63.47 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' ARG . 3.5 mm-40 -37.67 -58.73 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.56 -45.06 47.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.5 m-20 -66.66 -37.24 84.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 5.4 mmm180 -67.47 -58.92 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -43.29 -40.37 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mt -56.27 -58.32 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 49' ' ' GLN . 35.7 mt -60.44 -55.92 27.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -48.07 -57.51 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 80.2 mmm -63.16 -46.4 87.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.402 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 64.2 m -61.49 -17.2 53.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 45' ' ' LEU . 31.7 tt0 -90.57 -64.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.24 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.04 -60.14 4.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -33.79 64.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 110.36 160.34 17.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.548 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -83.21 75.19 9.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 0.809 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.51 157.44 56.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.472 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.03 -8.1 19.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.58 -22.44 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.605 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.1 m -79.83 -40.1 29.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.432 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 7.1 m-30 -50.6 -29.69 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -67.4 -18.91 65.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 t -91.37 -55.16 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.5 mt -56.81 -46.31 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 t -45.76 -35.84 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -85.09 -41.57 15.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -56.45 -34.68 67.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mt -58.54 -50.61 73.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.38 -57.27 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -140.44 15.89 2.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.0 159.17 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 p -106.54 163.11 17.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.01 20.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 72' ' ' GLU . 9.0 p -83.7 -49.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.414 ' N ' ' CG1' ' A' ' 71' ' ' VAL . 8.5 mm-40 -58.41 -54.49 46.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.7 t -42.23 -50.23 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.557 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 17.6 t -59.18 -43.38 92.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -62.94 -31.84 73.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.626 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -77.39 -40.14 44.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.548 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 10.5 t80 -63.36 -49.18 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -24.5 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -79.64 -40.6 28.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.0 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -74.65 -62.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.88 -65.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.13 -47.94 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.79 -43.69 77.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -69.61 -54.53 13.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.86 -55.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.1 mt -41.41 -57.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 49' ' ' GLN . 34.1 mt -59.13 -54.18 49.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.8 m -46.38 -60.83 2.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.444 ' CE ' HG13 ' A' ' 60' ' ' VAL . 59.7 mtp -63.13 -44.22 96.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.5 m -59.68 -20.74 58.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 45' ' ' LEU . 35.4 tp60 -89.44 -64.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.01 -60.04 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -71.11 -32.06 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.19 149.33 15.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.53 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -75.19 74.24 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -122.32 157.26 59.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.421 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.98 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.47 -15.06 25.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -88.63 -39.82 13.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 5.4 m-30 -50.26 -29.45 9.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.0 t -65.44 -18.34 65.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.444 HG13 ' CE ' ' A' ' 47' ' ' MET . 20.3 t -92.34 -51.25 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.8 mt -56.0 -49.4 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.82 -48.65 20.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -68.83 -36.85 78.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -67.67 -30.77 70.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mt -69.34 -52.9 22.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.65 -77.64 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -108.44 -13.75 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.71 156.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.6 p -110.42 160.48 28.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -16.54 19.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.7 p -87.06 -38.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.38 -47.24 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.2 t -46.1 -38.6 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.568 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 22.5 t -69.13 -43.52 74.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -61.38 -33.56 73.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -76.8 -36.62 56.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.53 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 7.9 t80 -57.15 -48.23 79.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.87 -24.86 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 38.7 mt-10 -75.2 -47.84 26.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.3 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -45.7 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.26 -52.06 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.18 85.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ARG . 59.6 m-20 -63.72 -47.92 79.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 12.3 mtp-105 -60.66 -45.7 93.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.9 t -45.4 -50.43 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.417 ' CG1' HG23 ' A' ' 61' ' ' ILE . 77.6 mt -55.07 -55.9 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 mt -50.47 -29.49 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.1 m -82.6 -55.63 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.384 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.449 ' CE ' HG11 ' A' ' 60' ' ' VAL . 88.7 mmm -60.05 -56.23 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.419 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 13.7 p -54.15 -21.6 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -87.85 -64.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -60.05 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.58 -32.02 67.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 105.6 145.95 13.87 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -68.36 76.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 0.806 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -122.53 157.29 59.6 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.1 Cg_endo -75.07 -3.84 14.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.19 -15.42 25.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.585 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -88.98 -36.37 15.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.442 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.591 ' CE2' ' OG ' ' A' ' 74' ' ' SER . 8.8 m-30 -53.34 -26.09 17.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -77.62 -16.89 58.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.449 HG11 ' CE ' ' A' ' 47' ' ' MET . 15.9 t -88.28 -56.29 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.417 HG23 ' CG1' ' A' ' 44' ' ' ILE . 4.1 mt -51.63 -40.31 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -46.25 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -71.74 -31.08 66.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -67.59 -46.16 73.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.7 mt -54.72 -48.98 71.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.76 -57.89 0.57 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -141.55 16.37 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.24 149.58 38.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.0 p -101.03 162.03 21.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.83 19.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.94 -24.69 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -91.07 -46.32 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.6 t -52.96 -35.75 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.591 ' OG ' ' CE2' ' A' ' 58' ' ' PHE . 1.9 t -71.72 -43.34 66.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 66.5 m170 -66.39 -28.38 68.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.573 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -76.25 -36.32 58.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.9 -53.22 42.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -63.71 -21.68 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 4.1 mm-40 -76.0 -52.08 10.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.248 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -87.2 -62.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -39.01 -50.69 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.92 86.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' ARG . 6.7 t0 -62.63 -44.09 97.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 42' ' ' ARG . 15.0 mtp-105 -62.65 -53.41 54.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 t -42.05 -50.01 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.98 -54.83 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.3 mt -52.73 -25.64 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 m -85.98 -52.36 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.35 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.462 ' CE ' HG12 ' A' ' 60' ' ' VAL . 71.6 mmm -63.99 -55.59 21.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.415 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 14.0 p -53.75 -21.91 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -86.87 -64.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -60.08 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.4 -33.13 71.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 107.78 148.13 13.86 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.2 78.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -126.43 157.33 70.87 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.461 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.5 Cg_endo -74.92 -2.71 12.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.59 -16.38 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.565 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -87.59 -38.84 15.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.545 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 5.8 m-30 -51.56 -30.05 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 t -71.49 -17.24 62.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.462 HG12 ' CE ' ' A' ' 47' ' ' MET . 15.5 t -92.28 -49.35 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.22 -41.81 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -46.92 53.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.055 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -70.84 -35.33 72.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -63.3 -44.71 94.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.05 -49.22 69.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.1 -56.87 0.56 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -146.11 19.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.4 154.49 37.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.9 p -97.1 157.63 34.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.4 20.85 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.87 -44.45 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.78 -44.56 73.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.2 t -49.3 -42.19 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.545 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 7.5 t -70.51 -47.91 58.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.039 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -56.39 -27.24 55.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.645 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -76.43 -36.93 57.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -66.71 -53.4 33.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -57.44 -22.04 40.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 16.7 mm-40 -82.77 -51.04 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.7 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 41' ' ' ASP . 19.0 tpp85 -39.93 -65.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.5 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 3.1 mt-10 -39.93 -49.18 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.54 97.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' ARG . 5.4 t0 -60.1 -51.51 69.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -63.31 -42.61 99.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 39' ' ' GLU . 18.9 t -47.59 -61.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.424 ' CG1' HG23 ' A' ' 61' ' ' ILE . 97.1 mt -45.43 -52.33 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.7 mt -53.63 -34.34 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' VAL . 56.3 m -78.14 -52.55 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 51' ' ' GLN . 1.4 mtp -60.69 -57.31 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' ALA . 13.8 p -55.77 -20.35 14.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -86.69 -63.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 -60.06 3.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.459 ' HG3' ' CE ' ' A' ' 47' ' ' MET . 11.6 mm100 -70.04 -32.79 71.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 109.82 148.11 12.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -79.23 55.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.464 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -85.78 169.15 16.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.97 -40.85 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -75.7 -38.33 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.601 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -44.73 -43.68 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.429 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 17.3 m-30 -50.46 -24.82 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.9 t -69.24 -17.71 63.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.5 t -83.53 -59.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.448 HG12 ' CG ' ' A' ' 47' ' ' MET . 9.8 mt -51.37 -42.37 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -40.44 31.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -76.02 -37.61 58.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -62.77 -41.21 99.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 mt -55.68 -50.85 69.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.84 -57.25 0.59 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -141.79 17.79 2.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.472 ' CE ' ' HA ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -79.91 148.48 31.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 p -99.14 163.22 19.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.365 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.85 18.46 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.7 p -78.5 -29.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.57 -41.26 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.52 -33.1 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.57 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 17.3 t -75.54 -16.34 60.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -91.46 -24.85 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.599 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -83.18 -32.82 26.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -72.2 -46.87 54.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -25.54 68.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.42 -48.21 15.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.9 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.98 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -64.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.455 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -42.32 -51.12 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.56 96.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -44.08 93.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -69.31 -50.68 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 39' ' ' GLU . 54.3 t -42.99 -45.0 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.455 ' CG1' HG23 ' A' ' 61' ' ' ILE . 85.5 mt -54.03 -59.15 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 49' ' ' GLN . 47.5 mt -59.86 -47.25 86.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -53.72 -58.28 7.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 51' ' ' GLN . 27.2 mmm -61.69 -50.51 72.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . 86.9 m -63.43 -14.68 53.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 34.7 tp60 -90.58 -64.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -60.15 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.467 ' HG3' ' CE ' ' A' ' 47' ' ' MET . 9.5 mm100 -73.49 -33.61 64.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' CYS . . . 112.53 149.77 10.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -76.0 57.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.404 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -82.29 169.3 18.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.97 -49.66 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -36.22 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.611 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -45.28 -44.43 11.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 22.2 m-85 -50.73 -21.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -70.85 -16.38 62.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.462 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 21.5 t -81.77 -72.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.455 HG23 ' CG1' ' A' ' 44' ' ' ILE . 2.5 mt -42.19 -47.38 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -42.4 -49.5 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -70.67 -38.86 73.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -57.55 -43.31 84.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.462 HD11 ' CD ' ' A' ' 68' ' ' LYS . 5.3 mt -57.07 -52.51 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.44 -71.78 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.83 5.44 8.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.462 ' CD ' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -62.76 162.36 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.3 p -115.14 163.02 21.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.57 20.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.414 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 5.8 p -80.1 -34.93 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.96 -42.63 19.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.5 t -53.24 -40.32 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.521 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 36.2 t -68.24 -37.29 80.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 71' ' ' VAL . 31.0 m170 -65.62 -32.45 74.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -78.46 -30.07 47.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -75.16 -44.16 48.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.21 -24.63 65.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.2 mm-40 -80.0 -43.72 21.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.4 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.9 tpt180 -39.39 -63.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -39.43 -54.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.3 96.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -61.12 -48.22 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -68.14 -51.95 40.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 39' ' ' GLU . 55.1 t -40.51 -43.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.0 mt -55.9 -63.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 55.5 mt -56.19 -43.97 78.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -52.34 -66.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.4 mmm -61.9 -41.95 98.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.946 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.408 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 95.9 m -63.26 -20.66 65.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 12.3 tp60 -88.89 -63.24 1.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -59.73 4.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -72.46 -30.29 64.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 106.09 157.43 21.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . . . -81.24 81.3 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.97 157.21 72.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -10.75 21.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.568 1.825 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -86.84 -15.14 40.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.578 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.8 m -87.06 -42.76 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.4 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 8.7 m-30 -47.9 -23.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -67.2 -29.71 69.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.946 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -86.82 -48.6 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.491 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 21.6 mt -51.09 -56.38 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.4 t -40.49 -50.08 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -50.1 62.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -53.74 -33.2 54.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.464 HD13 ' CD ' ' A' ' 68' ' ' LYS . 2.7 mt -60.64 -49.54 77.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.79 -60.9 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -144.08 17.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.464 ' CD ' HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -71.04 -176.55 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 p -128.19 160.47 61.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -15.85 20.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.1 p -82.43 -45.45 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 75' ' ' HIS . 4.2 mm-40 -64.88 -50.0 68.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.2 t -44.05 -36.68 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -72.84 -42.28 63.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' GLU . 59.1 m170 -66.77 -31.08 71.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -77.88 -35.56 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 9.9 t80 -68.4 -51.45 43.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -24.43 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.46 -49.22 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.5 tpt180 -47.12 -62.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' ARG . 25.4 tt0 -37.91 -71.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.81 42.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.01 -42.69 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -74.58 -55.11 6.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 51.2 t -40.47 -47.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.3 mt -52.01 -60.7 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 37.3 mt -58.4 -47.11 84.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 m -52.4 -63.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 86.1 mmm -60.98 -44.67 97.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 94.2 m -63.51 -18.89 64.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.9 tp60 -89.86 -63.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -60.01 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -72.9 -31.13 64.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' CYS . . . 107.5 152.49 17.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . . . -77.92 77.74 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.76 157.2 63.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.56 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.03 -6.81 18.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -90.87 -15.24 30.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.564 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 m -87.83 -40.03 14.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 7.3 m-30 -49.78 -30.76 10.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.4 t -64.8 -19.26 65.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.5 t -92.3 -50.47 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -61.46 -40.29 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.6 p -53.32 -36.16 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -81.61 -39.17 24.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.24 -39.59 87.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 68' ' ' LYS . 2.0 mt -55.97 -50.43 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.24 -60.31 0.61 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -135.75 15.89 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 0.727 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.459 ' CB ' HD11 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -80.41 143.24 33.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.8 p -89.46 161.29 40.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.451 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -16.18 20.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.4 p -81.88 -30.19 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.439 ' CB ' ' HE2' ' A' ' 68' ' ' LYS . 5.0 mm-40 -77.54 -47.26 19.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.4 t -46.59 -35.97 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.509 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 5.1 t -76.98 -45.48 27.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -61.88 -35.13 77.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -74.89 -42.86 57.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.425 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 7.7 t80 -57.48 -52.39 65.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -61.6 -20.82 63.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.3 mm-40 -84.09 -39.4 19.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.4 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -43.73 -60.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' ARG . 11.4 mt-10 -38.73 -64.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.04 -42.43 18.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 38' ' ' ARG . 5.7 m-20 -65.31 -47.7 75.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' VAL . 4.7 mmp_? -62.58 -57.11 12.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.5 t -40.48 -54.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.5 mt -45.46 -62.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' GLN . 44.5 mt -57.13 -51.86 67.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.4 m -48.21 -65.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.455 ' CE ' HG12 ' A' ' 60' ' ' VAL . 7.0 mmm -58.66 -53.04 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . 89.8 m -54.77 -21.07 9.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.6 tp-100 -90.54 -61.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -58.85 5.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' MET . 5.0 mt-30 -73.71 -31.28 63.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.71 145.02 11.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.49 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -75.77 57.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.451 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -83.4 168.98 18.96 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.451 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.96 -41.85 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -75.09 -37.6 61.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.9 m -44.45 -45.67 9.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.369 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.408 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 22.4 m-85 -48.45 -22.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -68.85 -26.93 65.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.455 HG12 ' CE ' ' A' ' 47' ' ' MET . 0.8 OUTLIER -79.95 -37.64 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.419 ' N ' HG11 ' A' ' 60' ' ' VAL . 50.2 mt -71.11 -50.79 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.409 ' CB ' ' C ' ' A' ' 69' ' ' THR . 90.4 p -49.77 -34.97 20.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -83.14 -48.48 10.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -53.98 -32.16 53.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -66.32 -50.79 62.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.37 -72.42 0.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -112.76 -13.86 13.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.791 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.69 157.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.409 ' C ' ' CB ' ' A' ' 62' ' ' SER . 10.2 p -113.53 163.29 18.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -18.64 18.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.4 HG11 ' N ' ' A' ' 72' ' ' GLU . 13.8 p -80.83 -38.26 16.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' HIS . 6.2 mm-40 -73.58 -52.88 11.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 t -40.73 -44.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.408 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 21.6 t -63.76 -46.83 83.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' GLU . 19.2 m-70 -56.53 -37.14 70.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.605 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -73.69 -40.59 63.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.49 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 5.9 t80 -64.13 -53.6 47.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -60.37 -24.38 65.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 7.0 mm-40 -78.59 -39.67 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.1 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.3 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -38.78 -63.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.9 mt-10 -38.31 -63.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.11 -41.0 11.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.2 m-20 -70.57 -38.34 74.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' GLU . 12.9 mmm180 -68.04 -56.91 7.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.425 ' CG1' ' SD ' ' A' ' 47' ' ' MET . 47.5 t -41.35 -42.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.1 mt -52.27 -68.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 mt -53.48 -43.13 67.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.5 m -50.92 -69.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.383 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' GLN . 8.9 mtp -62.21 -47.87 82.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 93.7 m -51.2 -23.58 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.28 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -89.45 -61.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.5 -59.79 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' MET . 26.8 mt-30 -72.98 -32.53 65.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 108.26 149.76 14.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.519 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.1 81.48 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.54 157.17 71.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -8.26 19.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.83 -18.15 28.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.641 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.3 m -84.21 -42.91 15.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 10.6 m-30 -47.1 -23.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 t -66.37 -31.64 72.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -84.7 -48.83 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.494 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 7.5 mt -51.4 -53.61 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 t -43.95 -47.28 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -68.95 -47.93 64.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -55.31 -38.97 69.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.461 HD12 ' CD ' ' A' ' 68' ' ' LYS . 2.5 mt -54.6 -52.08 63.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.75 -64.28 0.45 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -139.23 14.29 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.461 ' CD ' HD12 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -64.71 -168.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 2.3 p -137.99 159.7 67.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.427 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.9 20.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.4 p -87.91 -39.11 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' HIS . 3.5 mm-40 -70.93 -52.0 22.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 69' ' ' THR . 97.4 t -40.87 -42.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 34.8 t -66.39 -45.39 80.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER -59.03 -27.28 65.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -82.8 -40.34 20.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.519 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 9.6 t80 -67.41 -46.54 72.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.3 -23.58 65.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.324 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 3.9 mm-40 -79.23 -45.82 19.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.415 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 12.2 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -86.63 -65.22 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -39.19 -60.06 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.415 ' HB2' ' CG2' ' A' ' 37' ' ' THR . . . -54.48 -41.86 70.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.234 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.3 m-20 -62.69 -40.2 96.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' LEU . 7.3 mtp180 -72.45 -49.62 32.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 t -43.23 -51.54 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.467 HG12 ' CG2' ' A' ' 61' ' ' ILE . 52.8 mt -52.71 -42.88 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.472 ' O ' ' CB ' ' A' ' 49' ' ' GLN . 43.9 mt -64.57 -38.41 90.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.3 m -71.34 -49.58 40.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.518 ' CE ' ' CG1' ' A' ' 60' ' ' VAL . 78.6 mmm -61.26 -59.52 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' ALA . 13.7 p -56.39 -19.81 16.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 30.2 tt0 -83.2 -63.94 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.61 -59.98 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' MET . 7.3 mm100 -63.4 -33.41 75.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.47 118.56 3.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . . . -45.95 109.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.743 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -139.66 164.14 40.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.68 12.63 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.522 1.801 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -42.6 9.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.665 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -42.57 -44.93 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 74' ' ' SER . 23.0 m-85 -47.56 -29.6 2.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -60.35 -17.97 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.518 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 28.7 t -88.51 -50.91 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.467 ' CG2' HG12 ' A' ' 44' ' ' ILE . 4.7 mt -57.44 -50.13 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.14 -45.38 16.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -72.26 -38.53 68.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.64 -26.39 66.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.66 -52.64 14.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.47 -77.02 0.32 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.435 1.085 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.45 -17.18 13.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.17 156.33 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.0 p -109.31 160.55 27.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.425 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -16.46 20.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.55 1.816 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 p -86.79 -32.69 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -76.9 -49.19 16.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.0 t -43.13 -42.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 16.7 t -63.38 -49.17 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -54.52 -27.76 40.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.575 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -81.17 -37.27 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 53' ' ' ALA . 6.0 t80 -67.35 -44.39 79.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -68.22 -24.38 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.4 mm-40 -78.47 -49.24 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -53.53 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -41.65 -61.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.58 -46.22 73.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.64 -51.95 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -64.26 -47.5 79.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -41.58 -44.29 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.409 ' CD1' ' HG2' ' A' ' 76' ' ' ARG . 67.3 mt -53.63 -63.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLN . 44.2 mt -57.6 -49.19 77.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -47.79 -63.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 31.3 mmm -64.28 -38.85 92.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 58.4 m -64.64 -17.89 64.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' LEU . 17.0 tt0 -90.54 -65.04 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -60.01 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -73.62 -32.05 63.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 107.98 156.26 19.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . . . -80.1 77.13 6.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.85 157.17 58.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -11.37 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.803 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.13 -14.85 40.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.3 m -86.22 -42.89 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 10.4 m-30 -47.77 -23.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.2 t -67.21 -30.4 70.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -86.06 -48.71 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.496 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 32.1 mt -50.87 -49.8 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.97 -49.38 5.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -50.79 47.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -49.36 -39.33 31.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.462 HD13 ' CD ' ' A' ' 68' ' ' LYS . 2.0 mt -59.56 -51.34 70.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.86 -57.47 0.56 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -143.63 17.47 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.754 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.462 ' CD ' HD13 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -73.98 159.16 33.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.2 p -104.79 160.84 24.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.67 20.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -82.14 -45.4 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' HIS . 5.0 mm-40 -64.33 -48.73 74.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.413 HG11 ' CD1' ' A' ' 58' ' ' PHE . 55.9 t -51.34 -26.77 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.433 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 26.5 t -80.41 -28.78 37.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' GLU . 66.3 m-70 -81.76 -25.99 34.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HG2' ' CD1' ' A' ' 44' ' ' ILE . 12.2 tpt180 -77.65 -36.55 51.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 4.7 t80 -67.26 -51.56 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -63.27 -24.55 67.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.7 mm-40 -79.17 -49.23 12.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.7 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.466 HG22 ' CB ' ' A' ' 40' ' ' ALA . 5.1 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' GLU . 2.5 tpt180 -57.68 -62.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -38.48 -57.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.466 ' CB ' HG22 ' A' ' 37' ' ' THR . . . -52.07 -46.89 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.23 -35.26 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -72.18 -43.38 64.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 44' ' ' ILE . 71.9 t -56.27 -61.24 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.432 ' CG1' HG23 ' A' ' 61' ' ' ILE . 81.2 mt -40.3 -41.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.52 -61.56 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -51.98 -49.21 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLN . 97.7 mmm -59.7 -63.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.5 p -55.22 -20.51 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -81.77 -65.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -59.35 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -66.04 -32.19 73.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.88 149.29 17.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.47 55.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -84.99 168.22 21.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -74.99 -44.52 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -70.13 -38.44 75.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.587 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -45.31 -42.39 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.357 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CE2' ' OG ' ' A' ' 74' ' ' SER . 14.3 m-30 -51.98 -23.37 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.9 t -74.13 -16.74 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.419 HG13 ' CE ' ' A' ' 47' ' ' MET . 53.9 t -84.12 -59.5 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.432 HG23 ' CG1' ' A' ' 44' ' ' ILE . 2.6 mp -52.13 -43.05 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.08 -38.48 3.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -82.58 -35.15 27.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -59.44 -53.8 53.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mt -46.18 -49.3 17.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.2 -51.24 0.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.22 25.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 150.88 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.445 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 14.5 p -92.4 161.02 33.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.53 20.18 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.0 p -86.57 -37.32 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.71 -45.74 50.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 69' ' ' THR . 99.2 t -53.0 -52.14 31.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.506 ' OG ' ' CE2' ' A' ' 58' ' ' PHE . 4.7 t -61.03 -41.51 96.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -59.43 -28.24 66.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -80.43 -38.38 30.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.07 -45.41 83.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 5.7 ppt_? -70.83 -28.98 65.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 36.5 mt-10 -73.33 -37.95 65.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 75.3 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.1 tpt180 -53.51 -60.21 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ARG . 4.6 mt-10 -38.33 -66.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.19 -52.12 47.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -37.75 50.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' ARG . 23.5 mtm180 -76.05 -51.07 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.4 t -41.57 -61.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.468 ' CG1' HG22 ' A' ' 61' ' ' ILE . 43.6 mt -45.9 -54.6 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.6 mt -50.28 -39.52 45.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.7 m -73.35 -52.54 13.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.379 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.439 ' CE ' ' CG1' ' A' ' 60' ' ' VAL . 91.9 mmm -61.69 -66.06 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.479 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 14.5 p -42.91 -33.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.344 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -70.17 -59.76 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -60.08 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -63.4 -35.5 80.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 88.9 47.69 4.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.421 1.076 . . . . 0.0 110.971 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . . . 42.15 63.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.08 169.75 17.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.87 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.82 -32.38 35.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.567 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -49.75 -39.4 37.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.476 ' CE1' ' HB2' ' A' ' 74' ' ' SER . 29.7 m-85 -52.3 -23.99 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t -88.01 -18.75 28.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.439 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 41.2 t -75.09 -60.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.468 HG22 ' CG1' ' A' ' 44' ' ' ILE . 3.1 mt -55.44 -43.83 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.11 -43.03 20.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -76.49 -39.44 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -61.63 -28.15 69.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.437 HD13 ' CD ' ' A' ' 68' ' ' LYS . 2.9 mt -70.19 -49.1 53.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.13 -60.5 0.55 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -139.41 14.73 2.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.75 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.437 ' CD ' HD13 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -71.24 159.06 35.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.0 p -105.94 160.43 26.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.28 20.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -86.73 -37.61 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.16 -39.37 68.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.1 t -61.09 -47.65 92.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.476 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 5.9 t -62.93 -26.04 68.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -78.15 -29.45 48.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.578 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -83.2 -32.57 26.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 53' ' ' ALA . 9.7 t80 -72.08 -35.76 69.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -78.7 -23.07 45.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 2.6 mm-40 -78.82 -46.37 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.8 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 41' ' ' ASP . 1.5 tpt180 -45.86 -60.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -38.41 -52.91 1.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.2 76.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 38' ' ' ARG . 28.3 m-20 -63.1 -42.5 99.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -66.29 -60.99 2.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 t -40.96 -44.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mt -50.44 -59.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLN . 35.6 mt -59.3 -48.85 80.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.0 m -51.98 -60.99 2.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.459 ' CE ' HG11 ' A' ' 60' ' ' VAL . 36.3 mmm -62.54 -46.32 88.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.402 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 96.7 m -61.92 -19.48 62.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.1 tp60 -89.65 -64.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -59.31 5.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -73.16 -30.28 63.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 105.83 152.02 20.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.17 76.24 3.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.747 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' NE2' ' OG1' ' A' ' 57' ' ' THR . 2.0 pt20 -120.85 157.21 55.37 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.49 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.99 -11.18 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.57 -24.28 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.626 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.445 ' OG1' ' NE2' ' A' ' 54' ' ' GLN . 16.5 m -78.05 -38.45 44.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.49 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 10.8 m-30 -51.29 -27.59 9.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -70.34 -17.35 63.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.459 HG11 ' CE ' ' A' ' 47' ' ' MET . 16.1 t -92.27 -56.58 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.9 mt -51.3 -45.64 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.97 -55.51 6.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -63.29 -43.81 96.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -56.26 -41.25 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.47 HD13 ' CD ' ' A' ' 68' ' ' LYS . 2.3 mt -53.88 -53.1 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.72 -58.01 0.52 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.09 16.34 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.47 ' CD ' HD13 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -74.85 165.2 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.498 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 71.9 p -116.8 160.67 35.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.368 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -15.59 20.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.3 p -82.74 -44.62 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.28 -47.63 55.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 69' ' ' THR . 69.7 t -48.96 -37.27 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.429 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 23.1 t -71.52 -39.58 70.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -65.15 -23.98 67.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -83.11 -37.9 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 5.8 t80 -66.81 -43.5 83.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -68.3 -24.81 64.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 16.4 mm-40 -79.73 -42.35 24.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' NE ' ' HD2' ' A' ' 42' ' ' ARG . 4.3 ttt180 -79.82 -68.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.57 -63.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.99 -46.72 33.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 42' ' ' ARG . 15.4 mtp-105 -66.99 -59.74 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.9 t -40.44 -46.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mt -51.15 -59.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 49' ' ' GLN . 72.3 mt -58.52 -48.36 81.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 m -53.52 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.15 -45.78 83.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.1 m -62.93 -20.4 65.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.294 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.0 tp60 -90.35 -63.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -59.94 4.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -73.51 -31.49 63.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.36 158.3 20.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . . . -81.09 75.27 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -118.81 157.08 51.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.519 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.99 -11.37 21.49 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -86.05 -18.19 33.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.571 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.2 m -83.96 -38.01 21.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.418 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 6.6 m-30 -52.59 -24.72 8.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -74.54 -17.17 60.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 t -92.33 -53.13 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 mt -59.2 -50.36 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.1 p -48.88 -39.38 25.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.028 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -78.21 -38.62 42.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.02 -30.47 71.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 mt -64.93 -52.18 57.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.68 -73.5 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -113.83 -11.84 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.73 160.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.9 p -119.73 160.8 40.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -17.1 19.75 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.84 -23.53 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -91.0 -50.58 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.7 t -47.53 -34.43 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.549 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 28.8 t -66.64 -41.7 87.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -67.73 -23.17 65.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.582 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -78.58 -30.68 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 53' ' ' ALA . 10.3 t80 -78.7 -51.77 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -25.31 65.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -78.56 -46.99 18.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.0 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 38' ' ' ARG . 1.9 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.45 ' N ' ' OG1' ' A' ' 37' ' ' THR . 2.6 ttm-85 -74.11 -56.63 4.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' ARG . 1.1 tt0 -38.48 -61.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.29 -58.05 9.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -45.93 -36.84 5.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.4 -55.84 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.25 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.7 t -45.3 -49.31 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -46.13 -59.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 40.5 mt -59.87 -53.77 54.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.1 m -45.56 -59.72 2.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.41 ' CE ' HG11 ' A' ' 60' ' ' VAL . 66.3 mmm -65.32 -44.87 86.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ALA . 60.8 m -60.57 -17.08 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.1 tp60 -90.5 -63.64 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.56 -60.12 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -34.24 65.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.9 149.77 10.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.135 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.568 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.18 67.44 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.763 . . . . 0.0 109.342 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.509 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 1.2 pt20 -117.04 166.82 12.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.499 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.01 -44.09 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.407 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -54.98 -19.27 6.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.587 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -83.99 -45.46 13.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 74' ' ' SER . 10.7 m-30 -48.32 -26.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -63.98 -19.57 65.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.41 HG11 ' CE ' ' A' ' 47' ' ' MET . 15.3 t -92.35 -56.77 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.4 mt -52.79 -47.8 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 58' ' ' PHE . 13.5 p -48.03 -39.74 20.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -77.23 -42.02 38.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -59.52 -42.38 92.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD12 ' CB ' ' A' ' 68' ' ' LYS . 2.6 mt -51.2 -52.79 41.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.89 -62.76 0.57 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -132.11 19.47 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' CB ' HD12 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -86.78 147.16 25.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 p -95.19 163.35 22.02 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.53 20.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.19 -29.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.58 -44.14 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.8 t -51.94 -35.0 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.552 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 43.5 t -70.27 -51.16 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -55.99 -30.3 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -77.86 -38.65 45.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 6.4 t80 -68.58 -50.36 52.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -61.71 -24.59 66.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.4 mm-40 -78.11 -50.57 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -46.18 -62.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -39.45 -51.38 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.29 -43.98 92.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ARG . 13.5 m-20 -63.49 -39.4 94.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -71.26 -54.21 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 46' ' ' THR . 69.1 t -40.52 -59.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.465 HG12 ' CG2' ' A' ' 61' ' ' ILE . 56.6 mt -46.17 -53.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 mt -52.52 -31.3 34.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' VAL . 89.8 m -81.78 -54.05 5.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.3 mmm -59.44 -53.4 58.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' ALA . 13.8 p -58.82 -18.18 30.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -90.18 -66.44 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.77 -60.07 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -73.24 -33.7 65.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 108.62 147.08 12.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -69.36 81.59 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.411 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 1.4 pt20 -127.45 157.21 73.58 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.462 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -75.1 -11.72 21.31 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -85.7 -17.19 36.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -85.19 -42.37 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.502 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 5.7 m-30 -48.81 -22.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -68.75 -27.85 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -88.06 -48.3 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.482 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 30.3 mt -51.13 -46.89 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -44.33 56.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -72.4 -43.84 63.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.224 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -57.99 -35.1 70.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 65' ' ' LEU . 1.5 mt -70.45 -50.92 33.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.46 -72.38 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.1 -13.17 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -47.62 152.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.7 p -107.74 160.58 26.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.89 19.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.4 p -86.79 -39.0 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 75' ' ' HIS . 4.9 mm-40 -73.63 -47.43 40.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.3 t -44.39 -43.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.502 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 7.3 t -65.47 -39.89 92.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' GLU . 33.2 m170 -62.87 -26.59 68.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -80.55 -35.25 34.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.245 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.562 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 11.5 t80 -72.81 -49.54 29.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -63.15 -23.91 67.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 6.5 mm-40 -80.04 -48.08 13.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 77.8 p . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -56.79 -61.19 2.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.82 -59.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -54.34 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.68 -38.17 31.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -75.36 -55.72 5.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.1 t -40.71 -43.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.2 mt -55.39 -60.03 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 49' ' ' GLN . 62.5 mt -59.46 -55.1 38.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -45.02 -63.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 86.1 mmm -58.15 -44.25 87.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.411 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 10.2 m -61.18 -21.01 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 17.4 tt0 -90.48 -61.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.87 -60.0 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -74.15 -29.65 61.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 106.4 154.07 20.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . . . -79.33 72.21 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -118.29 157.37 49.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.451 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -74.98 -10.01 21.05 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -88.59 -15.01 36.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.5 m -89.24 -35.37 16.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 9.7 m-30 -52.76 -24.62 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -76.8 -17.1 59.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.21 -54.12 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.6 mt -56.93 -36.47 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -48.58 54.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -70.68 -39.82 73.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -55.29 -39.52 69.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.29 -52.18 66.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.47 -51.44 0.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -147.02 19.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.787 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.26 153.39 28.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.1 p -106.48 162.73 18.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -16.85 19.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.29 -25.23 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -91.43 -41.16 11.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.332 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.8 t -58.99 -30.7 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -73.14 -50.52 22.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.039 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 9.4 m170 -61.16 -27.5 68.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -79.7 -33.93 40.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 53' ' ' ALA . 7.8 t80 -68.13 -49.08 63.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -68.05 -19.93 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 5.2 mm-40 -79.36 -50.47 10.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.21 167.92 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.95 -168.3 30.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -169.57 170.67 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 0.797 . . . . 0.0 109.957 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.71 160.89 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.55 113.76 0.52 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.36 159.86 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.78 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.53 167.77 30.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.61 170.81 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.498 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 3.3 mp 61.35 162.08 0.11 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.498 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.0 177.75 37.71 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.965 -2.514 . . . . 0.0 111.023 -0.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.78 169.38 10.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.76 149.05 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.12 170.53 8.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.75 170.3 10.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.36 174.05 6.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -122.64 144.41 49.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.5 p -103.26 149.07 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -106.65 141.77 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 108.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.2 175.42 4.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -116.54 165.23 13.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.84 154.43 41.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 88.2 p -52.74 150.19 5.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.7 p -46.2 127.06 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.28 117.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.35 81.81 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 t -146.05 157.9 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.22 -102.73 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 62.9 115.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -167.99 122.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.22 121.67 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -159.86 -51.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.62 -71.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.567 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 15.3 m95 -71.99 126.58 30.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 108.003 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -85.69 144.05 28.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' ASP . 3.6 tpt180 -46.82 -62.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -39.34 -55.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.72 62.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.9 m-20 -69.09 -37.24 78.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -66.36 -55.92 13.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.3 t -42.66 -45.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.423 ' CG1' HG23 ' A' ' 61' ' ' ILE . 48.9 mt -48.3 -61.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' GLN . 47.3 mt -55.91 -49.15 74.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.0 m -51.09 -61.96 1.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.428 ' HE3' ' CG1' ' A' ' 60' ' ' VAL . 97.4 mmm -61.13 -50.77 71.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ALA . 58.0 m -59.46 -17.67 33.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LEU . 33.9 tt0 -90.5 -62.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.65 -59.99 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -33.72 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.7 146.25 10.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.586 1.179 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -74.92 58.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.459 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -83.97 169.35 17.33 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.95 -48.13 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -36.33 76.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -45.71 -43.72 13.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -51.82 -20.18 2.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -74.46 -16.37 60.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.428 ' CG1' ' HE3' ' A' ' 47' ' ' MET . 20.3 t -84.8 -63.67 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.429 HG21 ' CD2' ' A' ' 65' ' ' LEU . 4.0 mt -48.61 -51.42 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -40.25 -40.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -79.64 -40.05 30.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' ILE . 12.5 mm100 -59.36 -40.56 86.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.429 ' CD2' HG21 ' A' ' 61' ' ' ILE . 6.2 mt -54.46 -54.13 44.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.2 -64.17 0.34 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -141.51 19.1 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.567 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 0.4 OUTLIER -69.85 179.78 2.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.3 p -129.24 160.26 64.88 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -16.72 20.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.9 p -83.8 -30.29 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -86.52 -46.46 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.7 t -49.39 -41.21 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 t -69.86 -44.22 70.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.033 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -33.51 66.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -78.12 -44.6 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.476 ' O ' ' CE ' ' A' ' 81' ' ' MET . 10.6 t80 -61.5 -48.01 83.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -24.9 67.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -83.04 -41.04 19.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.7 mt -40.99 -70.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.476 ' CE ' ' O ' ' A' ' 77' ' ' PHE . 2.3 mpp? -48.97 -39.24 25.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -42.01 98.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.81 -60.71 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.098 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -45.92 -51.49 13.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -65.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.597 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.6 m -54.6 -58.87 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 69.26 -76.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.47 71.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 108.268 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.8 81.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.34 116.39 16.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.39 82.51 1.6 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.81 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.513 1.796 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.02 164.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -99.38 -59.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.43 4.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 p -164.66 168.96 17.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.02 179.84 38.7 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.04 169.72 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -175.72 170.63 2.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.67 148.27 5.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.02 175.58 2.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.95 156.01 11.68 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.51 79.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -160.76 161.67 24.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 135.14 39.11 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.026 -0.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.02 65.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -175.5 126.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.36 88.34 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -174.72 -59.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 110.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 62.15 60.57 1.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.3 p -134.43 132.64 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.6 t -85.88 109.36 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 m -94.8 104.93 16.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.284 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.87 78.39 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -87.93 153.01 21.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -84.97 99.81 11.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m 56.67 166.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.966 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.19 55.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.1 t -115.34 144.42 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.2 p -127.08 154.6 44.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t 174.43 137.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 m 61.18 153.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.98 -132.88 1.65 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.17 167.64 29.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.98 106.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 p -107.82 107.38 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.04 53.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.75 -53.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.554 ' CZ2' ' HD3' ' A' ' 68' ' ' LYS . 15.4 m95 -90.88 131.29 36.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 108.009 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -100.95 148.82 24.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.385 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -40.63 -63.47 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' ARG . 3.5 mm-40 -37.67 -58.73 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -49.56 -45.06 47.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.5 m-20 -66.66 -37.24 84.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 5.4 mmm180 -67.47 -58.92 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -43.29 -40.37 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.9 mt -56.27 -58.32 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 49' ' ' GLN . 35.7 mt -60.44 -55.92 27.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -48.07 -57.51 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 80.2 mmm -63.16 -46.4 87.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.402 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 64.2 m -61.49 -17.2 53.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 45' ' ' LEU . 31.7 tt0 -90.57 -64.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.24 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.04 -60.14 4.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -33.79 64.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 110.36 160.34 17.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.548 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -83.21 75.19 9.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 0.809 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.51 157.44 56.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.472 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.03 -8.1 19.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.58 -22.44 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.605 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.1 m -79.83 -40.1 29.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.432 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 7.1 m-30 -50.6 -29.69 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -67.4 -18.91 65.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 t -91.37 -55.16 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.5 mt -56.81 -46.31 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 t -45.76 -35.84 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -85.09 -41.57 15.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -56.45 -34.68 67.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mt -58.54 -50.61 73.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.38 -57.27 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -140.44 15.89 2.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.554 ' HD3' ' CZ2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -76.0 159.17 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.7 p -106.54 163.11 17.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.01 20.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 72' ' ' GLU . 9.0 p -83.7 -49.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.414 ' N ' ' CG1' ' A' ' 71' ' ' VAL . 8.5 mm-40 -58.41 -54.49 46.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.7 t -42.23 -50.23 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.557 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 17.6 t -59.18 -43.38 92.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -62.94 -31.84 73.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.626 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -77.39 -40.14 44.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.548 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 10.5 t80 -63.36 -49.18 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -24.5 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -79.64 -40.6 28.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.0 mt -43.91 -70.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.481 ' CE ' ' O ' ' A' ' 77' ' ' PHE . 2.3 mpp? -49.9 -40.35 42.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -60.83 -47.47 86.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.408 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -69.04 -38.62 79.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -64.47 -46.99 80.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.61 -64.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.636 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.8 m -89.64 121.74 32.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -155.62 115.24 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.76 112.35 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 108.315 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.55 105.16 15.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -145.73 -62.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.96 158.82 27.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.86 42.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -133.7 109.65 9.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.12 149.31 42.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -48.83 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.528 1.804 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.2 174.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.64 -177.62 43.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 p -159.17 151.65 21.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.67 159.62 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.89 -154.23 9.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.93 163.97 31.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.83 156.06 20.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.86 -59.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.494 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 1.2 mp -63.84 162.03 32.62 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.494 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.01 170.03 72.96 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.985 0.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -120.03 96.6 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.68 100.36 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.95 116.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -115.98 134.09 55.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -162.16 113.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -123.24 146.89 47.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' A' ' 19' ' ' VAL . 7.5 p -85.73 62.84 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.05 150.73 45.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 108.267 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.85 147.81 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -52.76 -55.59 21.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -169.07 -55.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.6 p -166.95 121.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.22 138.77 52.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.4 t -93.92 112.45 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.0 t -100.71 156.83 17.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.6 p -104.47 132.65 50.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.07 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 t -131.25 143.22 50.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.62 -116.89 1.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 68.24 142.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 110.293 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -45.45 163.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.2 p -159.16 107.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p -148.65 51.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.18 -64.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.55 ' CZ2' ' HD3' ' A' ' 68' ' ' LYS . 22.7 m95 -86.48 166.22 15.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t -128.46 176.19 7.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -74.65 -62.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.88 -65.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.13 -47.94 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.79 -43.69 77.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -69.61 -54.53 13.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.86 -55.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.1 mt -41.41 -57.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 49' ' ' GLN . 34.1 mt -59.13 -54.18 49.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.8 m -46.38 -60.83 2.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.444 ' CE ' HG13 ' A' ' 60' ' ' VAL . 59.7 mtp -63.13 -44.22 96.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.5 m -59.68 -20.74 58.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 45' ' ' LEU . 35.4 tp60 -89.44 -64.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.01 -60.04 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -71.11 -32.06 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.19 149.33 15.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.53 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -75.19 74.24 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -122.32 157.26 59.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.421 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.98 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.47 -15.06 25.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -88.63 -39.82 13.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 5.4 m-30 -50.26 -29.45 9.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.0 t -65.44 -18.34 65.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.444 HG13 ' CE ' ' A' ' 47' ' ' MET . 20.3 t -92.34 -51.25 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.8 mt -56.0 -49.4 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.82 -48.65 20.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -68.83 -36.85 78.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -67.67 -30.77 70.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.8 mt -69.34 -52.9 22.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.65 -77.64 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -108.44 -13.75 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.55 ' HD3' ' CZ2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -48.71 156.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.6 p -110.42 160.48 28.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -16.54 19.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.7 p -87.06 -38.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.38 -47.24 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.2 t -46.1 -38.6 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.568 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 22.5 t -69.13 -43.52 74.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -61.38 -33.56 73.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -76.8 -36.62 56.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.53 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 7.9 t80 -57.15 -48.23 79.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.87 -24.86 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 82' ' ' GLN . 38.7 mt-10 -75.2 -47.84 26.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.3 mt -44.49 -32.7 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.463 ' CE ' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -92.19 -28.23 17.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -68.81 -30.98 69.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 90.7 mt -71.28 -59.35 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -45.97 -53.81 9.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -46.46 -60.48 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.572 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.7 m -133.7 96.54 3.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.424 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.38 176.22 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.2 m -122.87 102.11 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 108.284 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -62.95 171.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.87 112.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 161.99 72.18 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.79 42.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.1 m -134.69 142.14 46.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.0 m -56.43 126.28 25.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 179.1 6.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.37 172.76 12.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.01 -164.73 10.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.18 166.25 33.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 110.033 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 p -137.46 166.93 22.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.972 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.92 -178.21 15.23 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.73 142.07 19.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 0.786 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.04 -177.6 15.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.34 158.58 3.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.492 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER 61.85 162.1 0.11 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.492 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.0 Cg_endo -75.05 -176.39 18.0 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.97 0.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 119.1 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.84 132.3 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.0 p -156.93 147.0 20.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.41 166.76 22.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.9 111.24 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p -88.27 118.95 28.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.4 t -132.27 108.51 13.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.9 p -179.62 164.58 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.075 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.93 109.32 2.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -177.56 133.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -179.44 164.31 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t -176.17 164.93 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.77 108.13 1.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -135.59 93.44 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.0 p -175.46 123.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.7 p -177.25 139.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.2 t 42.34 48.7 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.365 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -48.93 176.94 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -119.87 149.75 41.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt 59.44 78.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.2 p -140.68 127.08 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 p -178.28 -45.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.24 -55.62 17.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CZ2' ' HD3' ' A' ' 68' ' ' LYS . 6.9 m95 -89.83 152.47 21.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.03 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -88.89 136.88 32.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -45.7 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.26 -52.06 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.18 85.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ARG . 59.6 m-20 -63.72 -47.92 79.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 12.3 mtp-105 -60.66 -45.7 93.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.9 t -45.4 -50.43 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.417 ' CG1' HG23 ' A' ' 61' ' ' ILE . 77.6 mt -55.07 -55.9 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 mt -50.47 -29.49 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.1 m -82.6 -55.63 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.384 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.449 ' CE ' HG11 ' A' ' 60' ' ' VAL . 88.7 mmm -60.05 -56.23 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.419 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 13.7 p -54.15 -21.6 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -87.85 -64.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -60.05 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.58 -32.02 67.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 105.6 145.95 13.87 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -68.36 76.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 0.806 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -122.53 157.29 59.6 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.1 Cg_endo -75.07 -3.84 14.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.19 -15.42 25.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.585 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -88.98 -36.37 15.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.442 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.591 ' CE2' ' OG ' ' A' ' 74' ' ' SER . 8.8 m-30 -53.34 -26.09 17.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -77.62 -16.89 58.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.449 HG11 ' CE ' ' A' ' 47' ' ' MET . 15.9 t -88.28 -56.29 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.417 HG23 ' CG1' ' A' ' 44' ' ' ILE . 4.1 mt -51.63 -40.31 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -46.25 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -71.74 -31.08 66.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -67.59 -46.16 73.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.53 ' CD1' ' CZ3' ' A' ' 36' ' ' TRP . 3.7 mt -54.72 -48.98 71.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.76 -57.89 0.57 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -141.55 16.37 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.568 ' HD3' ' CZ2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -75.24 149.58 38.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 3.0 p -101.03 162.03 21.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.83 19.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.94 -24.69 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -91.07 -46.32 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.6 t -52.96 -35.75 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.591 ' OG ' ' CE2' ' A' ' 58' ' ' PHE . 1.9 t -71.72 -43.34 66.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 66.5 m170 -66.39 -28.38 68.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.573 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.522 ' HD3' ' CG ' ' A' ' 36' ' ' TRP . 24.3 tpt180 -76.25 -36.32 58.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.9 -53.22 42.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -63.71 -21.68 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 4.1 mm-40 -76.0 -52.08 10.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.248 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 mt -43.92 -56.36 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.432 ' N ' ' HE3' ' A' ' 81' ' ' MET . 0.0 OUTLIER -62.09 -32.69 73.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -40.55 85.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -40.31 83.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -53.07 -57.58 9.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -62.7 -61.43 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.564 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.9 m -101.57 77.76 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.38 174.49 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 53.13 79.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 108.299 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -134.36 93.55 3.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.08 105.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -105.93 157.41 16.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.118 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.91 4.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.58 129.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 m -64.92 95.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.87 5.42 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 179.9 167.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.36 -127.26 1.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.82 155.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 0.74 . . . . 0.0 109.964 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.72 170.59 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.87 -166.26 12.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.39 175.83 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 0.735 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.97 152.49 6.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.93 150.87 1.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 0.792 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER 75.28 159.16 0.16 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.97 169.76 73.66 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.023 -0.039 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.6 156.03 38.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -179.34 135.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.51 147.71 42.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.019 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -112.89 72.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.67 165.01 4.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.453 ' O ' ' CG1' ' A' ' 19' ' ' VAL . 1.7 t -62.03 122.32 15.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.453 ' CG1' ' O ' ' A' ' 18' ' ' THR . 27.1 m -155.9 174.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.8 t -125.22 82.23 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 108.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.94 72.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 176.78 119.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.54 99.47 10.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.9 t -164.77 81.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.36 -61.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.6 p -153.3 113.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -60.29 -53.71 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.0 m -51.47 166.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.019 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -133.04 148.03 52.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -39.41 112.41 0.25 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -42.36 -57.69 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 0.799 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.12 126.39 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.35 133.7 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 p -174.58 -49.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mt -84.67 -46.19 11.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.459 ' CZ2' ' HD3' ' A' ' 68' ' ' LYS . 17.0 m95 -105.55 156.36 18.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 108.031 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 71.5 p -122.14 -166.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -87.2 -62.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -39.01 -50.69 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.92 86.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' ARG . 6.7 t0 -62.63 -44.09 97.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 15.0 mtp-105 -62.65 -53.41 54.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 t -42.05 -50.01 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.98 -54.83 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.3 mt -52.73 -25.64 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 m -85.98 -52.36 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.35 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.462 ' CE ' HG12 ' A' ' 60' ' ' VAL . 71.6 mmm -63.99 -55.59 21.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.415 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 14.0 p -53.75 -21.91 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -86.87 -64.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -60.08 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.4 -33.13 71.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 107.78 148.13 13.86 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.2 78.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -126.43 157.33 70.87 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.461 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.5 Cg_endo -74.92 -2.71 12.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.59 -16.38 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.565 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -87.59 -38.84 15.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.545 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 5.8 m-30 -51.56 -30.05 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 t -71.49 -17.24 62.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.462 HG12 ' CE ' ' A' ' 47' ' ' MET . 15.5 t -92.28 -49.35 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.22 -41.81 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -46.92 53.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.055 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -70.84 -35.33 72.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -63.3 -44.71 94.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.05 -49.22 69.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.1 -56.87 0.56 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -146.11 19.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' HD3' ' CZ2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -75.4 154.49 37.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.9 p -97.1 157.63 34.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.4 20.85 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.87 -44.45 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.78 -44.56 73.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.2 t -49.3 -42.19 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.545 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 7.5 t -70.51 -47.91 58.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.039 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -56.39 -27.24 55.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.645 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -76.43 -36.93 57.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.465 ' O ' ' CE ' ' A' ' 81' ' ' MET . 6.0 t80 -66.71 -53.4 33.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -57.44 -22.04 40.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 82' ' ' GLN . 16.7 mm-40 -82.77 -51.04 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 84' ' ' PHE . 33.7 mt -44.22 -34.86 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.465 ' CE ' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -87.08 -30.58 21.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.8 OUTLIER -62.25 -42.01 98.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.402 ' HG ' ' N ' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -68.31 -47.65 67.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 4.6 m-85 -54.32 -51.89 63.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -61.27 2.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.628 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.1 m -42.49 -64.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 60.5 66.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.5 m -137.55 122.34 18.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 108.286 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.95 150.5 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.0 p -83.41 169.04 15.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.19 -173.59 16.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 179.42 6.08 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 0.0 111.075 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.8 m -100.33 -58.62 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.066 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.1 t -157.08 127.01 6.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.968 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 177.53 8.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.16 170.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.89 169.18 42.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.16 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.66 169.85 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p 178.24 160.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.95 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.44 149.42 8.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.43 142.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.74 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.61 150.37 11.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.89 86.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.477 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -163.08 160.7 18.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 -42.71 0.79 Allowed 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.007 0.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 172.89 -58.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.18 157.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -152.12 170.77 19.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -93.36 166.77 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.2 132.48 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 p -126.32 136.03 52.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.8 m -150.73 169.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 66.36 160.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.08 162.69 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.75 158.4 25.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -95.27 167.09 11.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.2 m -71.49 161.5 30.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.62 157.44 38.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.5 m -120.2 168.34 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.34 137.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.963 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.86 84.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 m -102.09 110.88 22.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.53 137.38 6.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.13 107.72 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.369 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -172.43 112.23 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.9 p -133.37 132.41 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -164.16 -44.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.428 ' N ' ' CG1' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -131.13 -48.77 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.575 ' CZ3' ' CD1' ' A' ' 65' ' ' LEU . 22.7 m95 -79.94 165.75 22.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.034 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 p -124.43 142.42 51.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 41' ' ' ASP . 19.0 tpp85 -39.93 -65.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.5 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 3.1 mt-10 -39.93 -49.18 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.54 97.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 38' ' ' ARG . 5.4 t0 -60.1 -51.51 69.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -63.31 -42.61 99.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 39' ' ' GLU . 18.9 t -47.59 -61.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.424 ' CG1' HG23 ' A' ' 61' ' ' ILE . 97.1 mt -45.43 -52.33 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.7 mt -53.63 -34.34 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' VAL . 56.3 m -78.14 -52.55 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.459 ' CE ' ' HG3' ' A' ' 51' ' ' GLN . 1.4 mtp -60.69 -57.31 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' ALA . 13.8 p -55.77 -20.35 14.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -86.69 -63.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 -60.06 3.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.459 ' HG3' ' CE ' ' A' ' 47' ' ' MET . 11.6 mm100 -70.04 -32.79 71.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 109.82 148.11 12.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -79.23 55.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.464 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -85.78 169.15 16.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.97 -40.85 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -75.7 -38.33 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.601 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -44.73 -43.68 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.429 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 17.3 m-30 -50.46 -24.82 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.9 t -69.24 -17.71 63.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.5 t -83.53 -59.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.448 HG12 ' CG ' ' A' ' 47' ' ' MET . 9.8 mt -51.37 -42.37 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -40.44 31.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -76.02 -37.61 58.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -62.77 -41.21 99.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.575 ' CD1' ' CZ3' ' A' ' 36' ' ' TRP . 2.9 mt -55.68 -50.85 69.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.84 -57.25 0.59 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -141.79 17.79 2.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.566 ' HD3' ' CZ2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -79.91 148.48 31.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 p -99.14 163.22 19.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.365 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.85 18.46 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.7 p -78.5 -29.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.57 -41.26 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.52 -33.1 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.57 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 17.3 t -75.54 -16.34 60.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -91.46 -24.85 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.599 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -83.18 -32.82 26.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -72.2 -46.87 54.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -25.54 68.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.42 -48.21 15.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 74.9 mt -52.12 -56.32 15.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.555 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.2 mmt -62.27 -12.63 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.981 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -51.61 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.1 mt -45.35 -62.53 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -50.54 -51.63 46.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.25 -64.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.587 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.5 p -60.08 -55.2 36.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 60.08 107.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.2 t -158.33 -62.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 108.292 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 63.1 157.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 t 58.16 74.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.39 -145.88 19.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.117 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -48.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.57 136.01 52.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.981 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.1 m -167.92 172.55 8.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -57.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.25 158.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.15 134.43 1.66 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -166.1 113.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.0 159.24 42.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.59 155.52 8.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.44 176.32 7.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.73 158.24 8.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' LEU . . . -163.82 -62.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.739 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.477 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -40.47 159.54 0.14 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.03 -177.2 19.84 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.979 0.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -166.48 143.89 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -176.39 153.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.89 159.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -175.25 150.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -165.33 155.37 13.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 m -150.11 108.32 3.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -149.97 142.74 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.8 p -132.62 156.23 47.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 108.286 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.83 153.78 33.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 172.19 128.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -164.79 143.03 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.3 t -141.2 148.96 40.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.045 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -145.14 156.97 44.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.4 m -52.15 136.87 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.7 p -111.98 165.7 11.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m 58.55 171.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.3 m 53.83 101.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.417 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.11 -128.08 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -104.25 116.16 31.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.39 128.86 34.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.0 t 57.93 107.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -165.98 -43.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.38 -60.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.545 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 11.9 m95 -94.91 159.0 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 107.992 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.7 p -95.13 -178.33 4.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -64.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.455 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -42.32 -51.12 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.56 96.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -44.08 93.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -69.31 -50.68 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 39' ' ' GLU . 54.3 t -42.99 -45.0 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.455 ' CG1' HG23 ' A' ' 61' ' ' ILE . 85.5 mt -54.03 -59.15 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 49' ' ' GLN . 47.5 mt -59.86 -47.25 86.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -53.72 -58.28 7.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.467 ' CE ' ' HG3' ' A' ' 51' ' ' GLN . 27.2 mmm -61.69 -50.51 72.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . 86.9 m -63.43 -14.68 53.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 34.7 tp60 -90.58 -64.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -60.15 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.467 ' HG3' ' CE ' ' A' ' 47' ' ' MET . 9.5 mm100 -73.49 -33.61 64.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 48' ' ' CYS . . . 112.53 149.77 10.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -76.0 57.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.404 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -82.29 169.3 18.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.97 -49.66 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -36.22 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.611 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m -45.28 -44.43 11.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 22.2 m-85 -50.73 -21.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -70.85 -16.38 62.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.462 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 21.5 t -81.77 -72.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.455 HG23 ' CG1' ' A' ' 44' ' ' ILE . 2.5 mt -42.19 -47.38 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -42.4 -49.5 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -70.67 -38.86 73.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -57.55 -43.31 84.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.462 HD11 ' CD ' ' A' ' 68' ' ' LYS . 5.3 mt -57.07 -52.51 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.44 -71.78 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.83 5.44 8.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.545 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -62.76 162.36 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.3 p -115.14 163.02 21.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.57 20.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.414 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 5.8 p -80.1 -34.93 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.96 -42.63 19.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.5 t -53.24 -40.32 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.521 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 36.2 t -68.24 -37.29 80.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 71' ' ' VAL . 31.0 m170 -65.62 -32.45 74.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' HD3' ' CD2' ' A' ' 36' ' ' TRP . 19.5 tpt180 -78.46 -30.07 47.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -75.16 -44.16 48.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.939 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.21 -24.63 65.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.2 mm-40 -80.0 -43.72 21.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.4 mt -55.18 -56.28 21.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.549 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.4 mmt -62.75 -12.57 24.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.87 -59.43 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.3 mt -40.6 -60.93 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 85' ' ' HIS . 26.6 m-85 -48.45 -54.49 13.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -40.19 -65.16 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.617 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.1 p -132.68 112.94 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -139.73 -75.25 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 68.51 80.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.272 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.93 115.31 29.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.9 p -138.2 108.43 6.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.961 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -147.89 96.39 0.17 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.35 27.25 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.446 1.761 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -135.13 150.54 50.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 m -176.98 93.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.951 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -179.05 4.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.05 168.66 19.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.41 -172.46 17.67 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.89 111.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.772 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 p -96.44 171.78 8.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.012 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.15 -152.08 7.55 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.66 170.21 16.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 0.779 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.36 -166.15 27.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.34 170.25 20.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 109.273 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.501 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER 65.87 162.11 0.13 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.501 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.98 143.7 78.62 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.977 -0.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -72.19 166.25 22.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.04 175.75 10.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.1 p -53.65 157.64 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -81.61 170.22 16.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -165.19 164.17 20.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m 61.68 157.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.412 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' ALA . 54.1 t 63.28 152.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 70.05 -67.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . -92.61 78.12 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -123.71 -55.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -68.08 132.62 47.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.16 134.76 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.988 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 143.96 13.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.1 p -82.63 118.79 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.77 -58.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.016 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -76.79 163.22 27.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.9 t -115.76 114.47 24.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.424 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.46 61.87 3.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -167.35 143.23 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -123.82 161.28 25.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.6 p -141.56 137.13 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.3 p -173.03 -47.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.0 -65.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.566 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 24.1 m95 -103.54 164.11 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 108.014 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.5 t -117.34 143.46 45.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.9 tpt180 -39.39 -63.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -39.43 -54.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.3 96.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -61.12 -48.22 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -68.14 -51.95 40.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.489 ' CG2' ' O ' ' A' ' 39' ' ' GLU . 55.1 t -40.51 -43.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.0 mt -55.9 -63.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 55.5 mt -56.19 -43.97 78.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -52.34 -66.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 14.4 mmm -61.9 -41.95 98.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.946 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.408 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 95.9 m -63.26 -20.66 65.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 12.3 tp60 -88.89 -63.24 1.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -59.73 4.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -72.46 -30.29 64.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 106.09 157.43 21.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . . . -81.24 81.3 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.97 157.21 72.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -10.75 21.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.568 1.825 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -86.84 -15.14 40.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.578 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.8 m -87.06 -42.76 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.4 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 8.7 m-30 -47.9 -23.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -67.2 -29.71 69.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.946 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -86.82 -48.6 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.491 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 21.6 mt -51.09 -56.38 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.4 t -40.49 -50.08 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -50.1 62.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -53.74 -33.2 54.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.464 HD13 ' CD ' ' A' ' 68' ' ' LYS . 2.7 mt -60.64 -49.54 77.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.79 -60.9 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -144.08 17.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.566 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -71.04 -176.55 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.9 p -128.19 160.47 61.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -15.85 20.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.1 p -82.43 -45.45 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 75' ' ' HIS . 4.2 mm-40 -64.88 -50.0 68.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 38.2 t -44.05 -36.68 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -72.84 -42.28 63.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' GLU . 59.1 m170 -66.77 -31.08 71.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.491 ' HD3' ' CE2' ' A' ' 36' ' ' TRP . 20.4 tpt180 -77.88 -35.56 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 9.9 t80 -68.4 -51.45 43.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -24.43 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.46 -49.22 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt -51.99 -54.43 29.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.553 ' N ' ' CE ' ' A' ' 81' ' ' MET . 21.5 mmt -61.97 -12.6 19.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -50.71 6.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.97 -36.53 39.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.09 -52.18 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -58.02 -62.02 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.563 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.0 m -47.43 -59.43 3.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.388 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 58.81 98.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.0 p -163.19 147.99 11.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.281 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 58.5 95.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 p -164.63 125.81 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -95.23 -85.16 1.68 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.95 39.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.81 79.41 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.6 m 46.94 84.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.34 7.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 p -117.18 170.54 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.49 156.8 25.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.2 165.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.986 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.67 162.76 21.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.44 -147.72 4.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.165 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.6 129.05 13.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.95 -91.82 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 111.061 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.0 150.65 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER 70.1 154.55 0.15 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.01 173.31 58.56 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.011 -0.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -60.8 158.16 13.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.44 175.0 7.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 p -159.17 161.86 36.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -154.03 170.34 21.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.74 171.97 10.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.92 126.58 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.9 t -127.31 77.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.1 t -49.41 127.51 15.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 108.288 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.65 78.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -73.9 156.16 37.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.48 148.49 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.16 129.38 23.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.74 171.94 11.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -117.85 147.96 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.3 p -154.91 124.17 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.015 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 t -170.16 128.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 t -155.59 59.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 110.423 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.83 159.24 8.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -134.79 155.99 49.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.41 135.61 11.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.4 p -133.68 144.46 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.6 p -178.04 -47.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.06 -76.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.564 ' CD1' ' HD3' ' A' ' 76' ' ' ARG . 69.0 m95 -78.45 159.13 28.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 108.008 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.7 t -124.52 160.08 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.43 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.5 tpt180 -47.12 -62.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' ARG . 25.4 tt0 -37.91 -71.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.81 42.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.01 -42.69 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -74.58 -55.11 6.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 51.2 t -40.47 -47.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.56 HD12 ' CZ3' ' A' ' 36' ' ' TRP . 7.3 mt -52.01 -60.7 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 37.3 mt -58.4 -47.11 84.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 m -52.4 -63.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 86.1 mmm -60.98 -44.67 97.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 94.2 m -63.51 -18.89 64.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.9 tp60 -89.86 -63.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -60.01 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -72.9 -31.13 64.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' CYS . . . 107.5 152.49 17.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.425 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . . . -77.92 77.74 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.76 157.2 63.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.56 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.03 -6.81 18.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -90.87 -15.24 30.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.564 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.4 m -87.83 -40.03 14.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 7.3 m-30 -49.78 -30.76 10.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.4 t -64.8 -19.26 65.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.5 t -92.3 -50.47 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -61.46 -40.29 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.6 p -53.32 -36.16 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -81.61 -39.17 24.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.24 -39.59 87.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.459 HD11 ' CB ' ' A' ' 68' ' ' LYS . 2.0 mt -55.97 -50.43 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.24 -60.31 0.61 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -135.75 15.89 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 0.727 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' CB ' HD11 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -80.41 143.24 33.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.8 p -89.46 161.29 40.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.451 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -16.18 20.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.4 p -81.88 -30.19 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.439 ' CB ' ' HE2' ' A' ' 68' ' ' LYS . 5.0 mm-40 -77.54 -47.26 19.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.4 t -46.59 -35.97 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.509 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 5.1 t -76.98 -45.48 27.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -61.88 -35.13 77.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.564 ' HD3' ' CD1' ' A' ' 36' ' ' TRP . 25.8 tpt180 -74.89 -42.86 57.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.482 ' O ' ' CE ' ' A' ' 81' ' ' MET . 7.7 t80 -57.48 -52.39 65.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -61.6 -20.82 63.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.3 mm-40 -84.09 -39.4 19.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 84' ' ' PHE . 64.4 mt -51.08 -30.34 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.482 ' CE ' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -89.08 -31.17 18.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -73.45 -38.75 65.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.8 mt -60.92 -52.95 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 6.9 m-85 -47.28 -56.75 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.48 -62.94 1.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.412 1.07 . . . . 0.0 109.634 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.1 m -144.38 116.34 8.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -137.13 -61.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.259 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 52.25 85.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -108.29 111.54 23.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.5 m -127.47 89.27 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -39.82 99.94 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 56.89 4.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.93 109.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.981 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 p -69.21 133.62 48.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.43 38.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.42 171.17 14.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.33 -177.99 38.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.8 -57.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m 63.13 146.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.66 -179.83 18.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.58 102.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.99 138.26 13.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -150.49 -53.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.477 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -101.65 160.99 24.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.01 178.87 32.78 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.957 -2.518 . . . . 0.0 111.021 -0.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -102.27 168.14 9.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.03 159.09 42.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.6 p -113.38 159.23 19.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.45 133.9 52.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.77 166.04 10.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.8 m 62.17 138.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.11 -44.97 99.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 45.27 68.44 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.364 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.57 138.48 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 59.69 168.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 57.66 106.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.2 m -54.78 -58.52 7.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.3 105.16 15.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.5 m -112.72 150.45 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.47 89.23 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.7 p -118.16 118.14 31.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.055 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.1 m -93.52 69.75 4.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.449 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.93 -134.8 5.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -127.65 61.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.69 43.81 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.6 p -130.28 147.1 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.0 t 72.2 -60.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mt -40.63 -50.73 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -116.66 131.51 56.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 107.996 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 t -101.87 153.06 20.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.404 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -43.73 -60.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' ARG . 11.4 mt-10 -38.73 -64.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.04 -42.43 18.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 38' ' ' ARG . 5.7 m-20 -65.31 -47.7 75.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' VAL . 4.7 mmp_? -62.58 -57.11 12.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.5 t -40.48 -54.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 7.5 mt -45.46 -62.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 49' ' ' GLN . 44.5 mt -57.13 -51.86 67.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.4 m -48.21 -65.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.455 ' CE ' HG12 ' A' ' 60' ' ' VAL . 7.0 mmm -58.66 -53.04 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . 89.8 m -54.77 -21.07 9.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.6 tp-100 -90.54 -61.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -58.85 5.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' MET . 5.0 mt-30 -73.71 -31.28 63.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.71 145.02 11.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.49 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -75.77 57.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.451 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -83.4 168.98 18.96 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.451 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.96 -41.85 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -75.09 -37.6 61.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.9 m -44.45 -45.67 9.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.369 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.408 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 22.4 m-85 -48.45 -22.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -68.85 -26.93 65.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.455 HG12 ' CE ' ' A' ' 47' ' ' MET . 0.8 OUTLIER -79.95 -37.64 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.419 ' N ' HG11 ' A' ' 60' ' ' VAL . 50.2 mt -71.11 -50.79 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.409 ' CB ' ' C ' ' A' ' 69' ' ' THR . 90.4 p -49.77 -34.97 20.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -83.14 -48.48 10.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -53.98 -32.16 53.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.425 ' N ' HD22 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -66.32 -50.79 62.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.37 -72.42 0.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -112.76 -13.86 13.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.791 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.69 157.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.409 ' C ' ' CB ' ' A' ' 62' ' ' SER . 10.2 p -113.53 163.29 18.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -18.64 18.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.4 HG11 ' N ' ' A' ' 72' ' ' GLU . 13.8 p -80.83 -38.26 16.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' HIS . 6.2 mm-40 -73.58 -52.88 11.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 t -40.73 -44.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.408 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 21.6 t -63.76 -46.83 83.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' GLU . 19.2 m-70 -56.53 -37.14 70.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.605 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -73.69 -40.59 63.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.49 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 5.9 t80 -64.13 -53.6 47.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -60.37 -24.38 65.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 7.0 mm-40 -78.59 -39.67 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 84' ' ' PHE . 31.1 mt -53.76 -41.26 66.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.418 ' HE3' ' N ' ' A' ' 81' ' ' MET . 0.0 OUTLIER -79.7 -32.51 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -37.81 80.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.75 -59.45 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 19.5 m-85 -45.81 -54.79 7.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -43.22 -63.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.623 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.4 m -77.8 86.39 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.465 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.6 91.91 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.5 p -100.02 132.5 45.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.78 55.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 91' ' ' GLY . 32.9 m -63.18 134.24 55.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' SER . . . -36.82 97.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 90' ' ' SER . 18.2 Cg_endo -75.03 79.57 2.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.42 132.38 34.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.006 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.4 m -135.44 131.14 35.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -53.18 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.77 161.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 110.04 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.35 -176.53 41.93 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.72 169.78 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 0.809 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.2 p -170.17 169.52 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.36 -148.19 5.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.35 176.29 3.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.95 150.27 5.64 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.36 177.91 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.502 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER 59.54 162.12 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.502 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 172.78 61.29 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.003 -0.085 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -144.32 126.65 15.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 176.84 132.66 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -176.75 164.65 2.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -178.66 113.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.173 . . . . 0.0 110.283 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.14 175.9 3.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -121.83 144.38 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.8 p -153.24 151.16 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.53 -61.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 108.306 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.67 87.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.51 151.67 21.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 m120 61.71 158.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 p -169.04 162.36 10.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 140.67 50.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -65.08 151.22 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 m 71.94 -61.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t 61.5 102.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 m -73.23 120.45 18.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.02 174.93 36.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.85 139.51 47.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.79 175.64 5.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.7 p -52.01 101.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 36' ' ' TRP . 8.9 p -136.82 61.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.8 mp 67.52 -71.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.572 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 33.2 m95 -72.04 129.9 39.65 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.3 m -89.64 145.48 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -38.78 -63.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.9 mt-10 -38.31 -63.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.11 -41.0 11.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.2 m-20 -70.57 -38.34 74.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' GLU . 12.9 mmm180 -68.04 -56.91 7.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.425 ' CG1' ' SD ' ' A' ' 47' ' ' MET . 47.5 t -41.35 -42.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.1 mt -52.27 -68.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 mt -53.48 -43.13 67.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.5 m -50.92 -69.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.383 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' GLN . 8.9 mtp -62.21 -47.87 82.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 93.7 m -51.2 -23.58 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.28 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -89.45 -61.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.5 -59.79 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' MET . 26.8 mt-30 -72.98 -32.53 65.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 108.26 149.76 14.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.519 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.1 81.48 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.54 157.17 71.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -8.26 19.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.83 -18.15 28.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.641 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 35.3 m -84.21 -42.91 15.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 10.6 m-30 -47.1 -23.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 t -66.37 -31.64 72.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -84.7 -48.83 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.494 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 7.5 mt -51.4 -53.61 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 t -43.95 -47.28 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -68.95 -47.93 64.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -55.31 -38.97 69.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.461 HD12 ' CD ' ' A' ' 68' ' ' LYS . 2.5 mt -54.6 -52.08 63.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.75 -64.28 0.45 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -139.23 14.29 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.572 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -64.71 -168.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 2.3 p -137.99 159.7 67.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.427 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.9 20.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.4 p -87.91 -39.11 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' HIS . 3.5 mm-40 -70.93 -52.0 22.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 69' ' ' THR . 97.4 t -40.87 -42.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 34.8 t -66.39 -45.39 80.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER -59.03 -27.28 65.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -82.8 -40.34 20.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.519 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 9.6 t80 -67.41 -46.54 72.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.3 -23.58 65.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.324 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 3.9 mm-40 -79.23 -45.82 19.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.6 mt -52.62 -55.85 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.551 ' N ' ' CE ' ' A' ' 81' ' ' MET . 21.9 mmt -62.03 -12.61 19.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -85.0 -55.3 4.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.3 mt -45.78 -61.43 1.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -47.92 -53.58 15.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.68 -63.85 0.95 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.566 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 m -145.2 117.4 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -136.45 147.71 47.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.95 162.72 16.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 108.268 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -59.9 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.5 m -49.59 131.98 21.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -152.45 -167.81 15.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 171.11 18.96 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.0 t -176.74 162.48 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.3 p 41.02 90.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.45 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 m 56.91 167.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.19 -169.9 12.66 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 m -135.37 170.55 15.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -84.03 169.7 14.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.54 -133.34 4.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.46 157.0 0.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.65 174.12 15.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.89 62.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -152.1 162.08 27.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.01 -30.32 6.1 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.021 0.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.63 117.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.3 153.55 51.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.36 158.79 25.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.04 151.7 26.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.331 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.94 -58.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.7 m 60.5 146.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.7 p -167.92 144.09 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 68.5 154.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.306 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.26 160.2 40.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.2 165.35 11.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -117.33 176.94 4.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.3 p -120.42 151.18 39.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -150.88 168.98 22.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.4 t -150.73 102.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.5 t -145.29 135.9 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.026 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.9 t -48.96 161.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.4 p -127.71 -53.67 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.446 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.26 -64.26 0.44 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.03 156.33 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.787 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -91.96 168.45 11.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -138.71 110.4 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.47 -46.31 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.46 -68.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -73.93 163.88 27.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 107.998 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.415 ' CG2' ' HB2' ' A' ' 40' ' ' ALA . 12.2 t -121.62 -175.01 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -86.63 -65.22 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -39.19 -60.06 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.415 ' HB2' ' CG2' ' A' ' 37' ' ' THR . . . -54.48 -41.86 70.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.234 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.3 m-20 -62.69 -40.2 96.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' LEU . 7.3 mtp180 -72.45 -49.62 32.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 t -43.23 -51.54 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.467 HG12 ' CG2' ' A' ' 61' ' ' ILE . 52.8 mt -52.71 -42.88 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' O ' ' CB ' ' A' ' 49' ' ' GLN . 43.9 mt -64.57 -38.41 90.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.3 m -71.34 -49.58 40.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.518 ' CE ' ' CG1' ' A' ' 60' ' ' VAL . 78.6 mmm -61.26 -59.52 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' ALA . 13.7 p -56.39 -19.81 16.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 30.2 tt0 -83.2 -63.94 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.61 -59.98 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' MET . 7.3 mm100 -63.4 -33.41 75.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.47 118.56 3.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . . . -45.95 109.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.743 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -139.66 164.14 40.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.68 12.63 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.522 1.801 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -42.6 9.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.665 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -42.57 -44.93 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 74' ' ' SER . 23.0 m-85 -47.56 -29.6 2.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -60.35 -17.97 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.518 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 28.7 t -88.51 -50.91 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.467 ' CG2' HG12 ' A' ' 44' ' ' ILE . 4.7 mt -57.44 -50.13 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.14 -45.38 16.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -72.26 -38.53 68.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.64 -26.39 66.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.66 -52.64 14.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.47 -77.02 0.32 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.435 1.085 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.45 -17.18 13.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.17 156.33 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.0 p -109.31 160.55 27.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.425 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -16.46 20.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.55 1.816 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 p -86.79 -32.69 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -76.9 -49.19 16.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.0 t -43.13 -42.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 16.7 t -63.38 -49.17 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -54.52 -27.76 40.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.575 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -81.17 -37.27 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 53' ' ' ALA . 6.0 t80 -67.35 -44.39 79.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -68.22 -24.38 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.4 mm-40 -78.47 -49.24 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.6 mt -51.39 -57.5 8.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.558 ' N ' ' CE ' ' A' ' 81' ' ' MET . 21.8 mmt -61.89 -12.61 18.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -75.47 -51.94 11.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.415 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -62.87 -45.09 94.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.54 -48.18 81.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -62.28 -60.07 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.611 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -137.94 110.13 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.4 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -121.33 -178.52 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -170.94 147.25 2.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 108.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -78.38 147.54 34.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 t -163.53 160.53 23.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.97 69.05 1.47 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -55.19 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.5 p -142.23 147.65 36.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.019 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.2 t -112.92 -58.76 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 179.39 6.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.98 -58.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.84 -89.17 1.03 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.77 155.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.995 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 178.48 169.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.54 -174.61 26.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.436 1.085 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.48 171.86 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 0.794 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -137.42 -162.33 9.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -168.75 105.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.473 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -154.51 160.78 30.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 -177.91 21.92 Favored 'Cis proline' 0 C--N 1.359 1.107 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.033 0.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.03 100.47 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.31 175.61 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.72 168.15 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -171.23 169.51 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.08 158.53 3.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -148.94 151.68 35.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -135.88 157.85 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.86 144.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.06 139.86 29.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -143.71 152.23 41.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -153.96 171.38 19.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.78 159.88 20.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.032 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.1 151.91 51.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.0 t 61.89 96.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 t -163.55 162.99 24.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.988 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.8 147.54 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -60.31 131.61 51.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.56 108.21 2.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 62.14 167.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.62 91.94 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 p -157.14 160.7 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.3 t 71.69 -62.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.368 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tt -44.14 -51.57 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 22.2 m95 -94.93 123.47 38.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 108.035 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 m -73.17 153.36 40.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -53.53 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -41.65 -61.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.58 -46.22 73.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.64 -51.95 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -64.26 -47.5 79.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -41.58 -44.29 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.466 ' CD1' ' CZ3' ' A' ' 36' ' ' TRP . 67.3 mt -53.63 -63.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLN . 44.2 mt -57.6 -49.19 77.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -47.79 -63.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 31.3 mmm -64.28 -38.85 92.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 58.4 m -64.64 -17.89 64.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' LEU . 17.0 tt0 -90.54 -65.04 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -60.01 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -73.62 -32.05 63.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 107.98 156.26 19.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . . . -80.1 77.13 6.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.85 157.17 58.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -11.37 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.803 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.13 -14.85 40.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.3 m -86.22 -42.89 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 10.4 m-30 -47.77 -23.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.2 t -67.21 -30.4 70.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.496 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -86.06 -48.71 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.496 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 32.1 mt -50.87 -49.8 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.97 -49.38 5.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -50.79 47.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -49.36 -39.33 31.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.462 HD13 ' CD ' ' A' ' 68' ' ' LYS . 2.0 mt -59.56 -51.34 70.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.86 -57.47 0.56 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -143.63 17.47 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.754 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.568 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 0.4 OUTLIER -73.98 159.16 33.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.2 p -104.79 160.84 24.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.67 20.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -82.14 -45.4 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' HIS . 5.0 mm-40 -64.33 -48.73 74.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.413 HG11 ' CD1' ' A' ' 58' ' ' PHE . 55.9 t -51.34 -26.77 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.433 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 26.5 t -80.41 -28.78 37.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' GLU . 66.3 m-70 -81.76 -25.99 34.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.494 ' HD3' ' CD2' ' A' ' 36' ' ' TRP . 12.2 tpt180 -77.65 -36.55 51.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 4.7 t80 -67.26 -51.56 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -63.27 -24.55 67.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.7 mm-40 -79.17 -49.23 12.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.7 mt -51.72 -55.22 20.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.543 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.9 mmt -61.98 -12.66 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -80.1 -46.86 15.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.7 -36.7 67.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.05 -45.1 93.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -62.95 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.6 m -110.25 114.77 28.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.4 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -126.73 158.22 37.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 10.9 p -140.68 102.04 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 108.333 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -46.69 141.85 3.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 110.258 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.97 106.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.989 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.28 97.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.116 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -51.22 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.444 1.76 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.59 163.75 27.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 m -161.62 -60.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -52.92 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -163.98 168.47 19.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.76 106.75 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -165.79 152.95 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.022 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.13 -58.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.71 153.86 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.954 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.37 163.56 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.19 -170.84 12.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.07 60.1 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.241 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 0.7 OUTLIER -112.09 162.05 23.1 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.02 -41.55 0.98 Allowed 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.019 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -99.68 -170.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 177.44 115.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.8 p 62.3 169.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -159.49 166.54 30.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.45 -55.24 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.0 m 63.29 -82.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.387 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.4 t 71.07 -68.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.87 172.86 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.271 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.33 154.5 34.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.167 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -143.79 144.87 31.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -108.39 116.85 32.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -61.77 -61.24 2.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' N ' ' OG ' ' A' ' 24' ' ' SER . 0.1 OUTLIER 63.18 171.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.2 t -117.1 -66.18 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.9 m 62.42 98.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 t -170.11 164.45 9.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 17.7 m 63.49 112.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.24 119.54 1.98 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -112.69 138.73 49.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.76 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.82 64.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.28 116.03 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 51.3 t -140.27 -57.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -75.39 -55.89 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 13.7 m95 -80.05 170.94 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.466 HG22 ' CB ' ' A' ' 40' ' ' ALA . 5.1 t -110.05 157.67 19.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' GLU . 2.5 tpt180 -57.68 -62.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -38.48 -57.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.466 ' CB ' HG22 ' A' ' 37' ' ' THR . . . -52.07 -46.89 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.23 -35.26 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -72.18 -43.38 64.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 44' ' ' ILE . 71.9 t -56.27 -61.24 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.432 ' CG1' HG23 ' A' ' 61' ' ' ILE . 81.2 mt -40.3 -41.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.52 -61.56 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -51.98 -49.21 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLN . 97.7 mmm -59.7 -63.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.5 p -55.22 -20.51 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -81.77 -65.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -59.35 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -66.04 -32.19 73.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.88 149.29 17.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.47 55.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -84.99 168.22 21.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -74.99 -44.52 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -70.13 -38.44 75.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.587 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -45.31 -42.39 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.357 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CE2' ' OG ' ' A' ' 74' ' ' SER . 14.3 m-30 -51.98 -23.37 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.9 t -74.13 -16.74 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.419 HG13 ' CE ' ' A' ' 47' ' ' MET . 53.9 t -84.12 -59.5 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.432 HG23 ' CG1' ' A' ' 44' ' ' ILE . 2.6 mp -52.13 -43.05 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.08 -38.48 3.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -82.58 -35.15 27.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -59.44 -53.8 53.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mt -46.18 -49.3 17.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.2 -51.24 0.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.22 25.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.568 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -78.49 150.88 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.445 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 14.5 p -92.4 161.02 33.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.53 20.18 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.0 p -86.57 -37.32 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.71 -45.74 50.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.445 ' CG2' ' O ' ' A' ' 69' ' ' THR . 99.2 t -53.0 -52.14 31.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.506 ' OG ' ' CE2' ' A' ' 58' ' ' PHE . 4.7 t -61.03 -41.51 96.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -59.43 -28.24 66.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -80.43 -38.38 30.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.07 -45.41 83.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 5.7 ppt_? -70.83 -28.98 65.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 36.5 mt-10 -73.33 -37.95 65.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.6 -57.47 11.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.541 ' N ' ' CE ' ' A' ' 81' ' ' MET . 22.4 mmt -62.34 -12.5 21.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.9 tm0? -71.62 -54.88 8.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.6 mt -44.65 -59.76 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -58.21 -45.88 86.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -43.18 -65.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.581 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.41 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 2.3 t -69.35 -30.56 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.462 ' O ' ' CB ' ' A' ' 88' ' ' CYS . . . 77.65 -65.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 4.4 t 86.15 -72.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.22 89.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.253 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 m -45.7 141.24 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 175.81 78.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 74.98 3.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.0 p -88.78 161.28 16.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.55 -62.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 179.58 5.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.764 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.5 169.5 15.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.9 -173.89 14.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.563 1.164 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.38 165.94 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.5 170.03 15.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.12 -145.1 4.13 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.84 167.14 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.15 173.47 42.71 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.37 -60.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.503 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -43.61 156.25 0.29 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.0 -174.18 13.66 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.059 -2.476 . . . . 0.0 110.977 -0.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.1 107.32 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.41 153.98 11.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.93 123.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.01 140.07 16.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.46 154.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.0 m -119.67 143.76 47.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.7 m -134.72 170.89 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.1 p -72.33 136.51 46.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 108.344 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.9 -62.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -142.83 146.11 33.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -153.97 -54.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 t 65.26 147.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.051 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -158.38 150.06 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.3 m -53.54 156.79 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.2 140.24 48.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.46 108.57 17.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.8 p -44.34 146.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.38 -114.48 3.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 54.32 88.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.773 . . . . 0.0 110.26 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -86.25 86.65 7.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.9 109.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.39 45.96 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.38 -53.11 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.569 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 9.2 m95 -85.75 170.76 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.02 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 t -106.43 151.75 24.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.1 tpt180 -53.51 -60.21 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' ARG . 4.6 mt-10 -38.33 -66.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.19 -52.12 47.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -37.75 50.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' ARG . 23.5 mtm180 -76.05 -51.07 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.4 t -41.57 -61.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.468 ' CG1' HG22 ' A' ' 61' ' ' ILE . 43.6 mt -45.9 -54.6 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.6 mt -50.28 -39.52 45.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.7 m -73.35 -52.54 13.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.379 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.439 ' CE ' ' CG1' ' A' ' 60' ' ' VAL . 91.9 mmm -61.69 -66.06 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.479 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 14.5 p -42.91 -33.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.344 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -70.17 -59.76 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -60.08 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -63.4 -35.5 80.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 88.9 47.69 4.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.421 1.076 . . . . 0.0 110.971 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . . . 42.15 63.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.08 169.75 17.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.87 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.82 -32.38 35.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.567 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -49.75 -39.4 37.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.476 ' CE1' ' HB2' ' A' ' 74' ' ' SER . 29.7 m-85 -52.3 -23.99 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t -88.01 -18.75 28.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.439 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 41.2 t -75.09 -60.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.468 HG22 ' CG1' ' A' ' 44' ' ' ILE . 3.1 mt -55.44 -43.83 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.11 -43.03 20.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -76.49 -39.44 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -61.63 -28.15 69.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.437 HD13 ' CD ' ' A' ' 68' ' ' LYS . 2.9 mt -70.19 -49.1 53.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.13 -60.5 0.55 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -139.41 14.73 2.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.75 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.569 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 0.1 OUTLIER -71.24 159.06 35.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.0 p -105.94 160.43 26.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.28 20.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -86.73 -37.61 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.16 -39.37 68.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.1 t -61.09 -47.65 92.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.476 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 5.9 t -62.93 -26.04 68.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -78.15 -29.45 48.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.578 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -83.2 -32.57 26.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 53' ' ' ALA . 9.7 t80 -72.08 -35.76 69.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -78.7 -23.07 45.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 2.6 mm-40 -78.82 -46.37 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.8 mt -52.44 -57.26 10.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.552 ' N ' ' CE ' ' A' ' 81' ' ' MET . 21.5 mmt -62.01 -12.59 19.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -55.8 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.3 mt -48.09 -61.18 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -46.23 -54.86 8.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.28 -66.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.0 p -141.13 108.29 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -138.95 164.42 29.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.42 157.26 44.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 108.279 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.12 156.12 30.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -137.75 -53.85 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.11 157.6 12.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.47 2.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.33 -58.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.7 m -51.97 137.8 26.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.36 4.91 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.47 156.47 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.2 177.68 42.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -178.64 167.55 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.974 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -169.36 168.14 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.049 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.05 -173.22 12.91 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.49 168.75 26.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 0.801 . . . . 0.0 109.303 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.13 -151.58 8.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.445 ' C ' ' CD2' ' A' ' 11' ' ' LEU . . . -159.57 100.1 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.514 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -164.45 153.87 11.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.06 -172.2 10.45 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.99 -2.504 . . . . 0.0 110.977 0.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.89 100.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.18 179.34 6.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.29 169.62 22.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -115.92 163.17 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.45 175.51 9.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.3 t -147.96 162.23 39.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -133.53 167.62 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.23 160.71 20.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.295 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.4 174.26 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -119.56 146.88 45.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -90.76 142.74 27.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.35 140.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -169.76 124.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.4 p -172.4 144.13 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.69 142.44 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.2 m -154.58 169.13 24.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.7 p -66.2 147.9 52.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.91 163.88 20.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.93 166.93 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.79 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.57 112.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.6 p -170.96 133.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 6.4 m -156.14 -52.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.61 -52.49 7.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.569 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 10.7 m95 -76.95 159.46 29.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.031 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.5 t -107.72 145.22 33.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 41' ' ' ASP . 1.5 tpt180 -45.86 -60.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -38.41 -52.91 1.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.2 76.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 38' ' ' ARG . 28.3 m-20 -63.1 -42.5 99.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -66.29 -60.99 2.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 t -40.96 -44.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mt -50.44 -59.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLN . 35.6 mt -59.3 -48.85 80.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.0 m -51.98 -60.99 2.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.459 ' CE ' HG11 ' A' ' 60' ' ' VAL . 36.3 mmm -62.54 -46.32 88.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.402 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 96.7 m -61.92 -19.48 62.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.1 tp60 -89.65 -64.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -59.31 5.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -73.16 -30.28 63.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 105.83 152.02 20.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.17 76.24 3.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.747 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' NE2' ' OG1' ' A' ' 57' ' ' THR . 2.0 pt20 -120.85 157.21 55.37 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.49 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.99 -11.18 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.57 -24.28 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.626 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.445 ' OG1' ' NE2' ' A' ' 54' ' ' GLN . 16.5 m -78.05 -38.45 44.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.49 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 10.8 m-30 -51.29 -27.59 9.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -70.34 -17.35 63.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.459 HG11 ' CE ' ' A' ' 47' ' ' MET . 16.1 t -92.27 -56.58 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 8.9 mt -51.3 -45.64 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.97 -55.51 6.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -63.29 -43.81 96.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -56.26 -41.25 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.47 HD13 ' CD ' ' A' ' 68' ' ' LYS . 2.3 mt -53.88 -53.1 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.72 -58.01 0.52 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.09 16.34 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.569 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 0.2 OUTLIER -74.85 165.2 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.498 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 71.9 p -116.8 160.67 35.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.368 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -15.59 20.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.3 p -82.74 -44.62 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.28 -47.63 55.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 69' ' ' THR . 69.7 t -48.96 -37.27 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.429 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 23.1 t -71.52 -39.58 70.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -65.15 -23.98 67.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -83.11 -37.9 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 5.8 t80 -66.81 -43.5 83.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -68.3 -24.81 64.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 16.4 mm-40 -79.73 -42.35 24.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.2 mt -56.28 -55.73 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.558 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.8 mmt -62.24 -12.61 21.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -90.37 -51.91 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -52.41 -30.58 29.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -49.64 42.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -61.53 2.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.623 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.0 m -116.3 128.39 55.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -149.12 -61.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.0 t 57.43 72.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 54.6 97.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.68 140.64 30.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.42 86.93 0.67 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -46.24 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.17 149.98 28.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.65 123.16 36.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.7 5.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -131.56 166.67 20.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.054 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.27 -178.44 42.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.23 165.45 25.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.46 164.04 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.57 167.04 12.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.11 -56.92 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.784 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.52 -171.16 20.92 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.142 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.47 -58.05 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.511 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.97 155.57 0.84 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.02 133.98 33.87 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.007 0.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -65.97 158.62 27.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -177.94 114.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.33 167.69 12.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.6 113.9 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.87 164.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 m -152.75 144.62 23.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.0 m -42.8 131.16 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.9 p -159.07 150.02 19.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 108.317 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.25 159.15 0.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -143.71 158.71 43.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m120 62.98 168.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 m -141.44 145.55 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.005 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -98.6 144.69 27.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.7 t 64.7 139.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 p -150.42 149.86 30.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.1 p -179.19 104.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.4 p -91.98 -53.81 4.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.23 -128.34 8.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.15 . . . . 0.0 111.032 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -178.74 117.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.292 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -168.34 133.08 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.7 p -164.91 127.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.1 t -152.38 -55.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.561 HD11 ' CD1' ' A' ' 36' ' ' TRP . 1.1 tm? -87.41 -75.44 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.561 ' CD1' HD11 ' A' ' 35' ' ' LEU . 29.0 m95 -78.27 167.27 21.62 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -112.45 -167.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.47 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' NE ' ' HD2' ' A' ' 42' ' ' ARG . 4.3 ttt180 -79.82 -68.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.57 -63.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.99 -46.72 33.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 42' ' ' ARG . 15.4 mtp-105 -66.99 -59.74 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.9 t -40.44 -46.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mt -51.15 -59.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 49' ' ' GLN . 72.3 mt -58.52 -48.36 81.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 m -53.52 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.15 -45.78 83.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.1 m -62.93 -20.4 65.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.294 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.0 tp60 -90.35 -63.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -59.94 4.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -73.51 -31.49 63.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.36 158.3 20.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . . . -81.09 75.27 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -118.81 157.08 51.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.519 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.99 -11.37 21.49 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -86.05 -18.19 33.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.571 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.2 m -83.96 -38.01 21.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.418 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 6.6 m-30 -52.59 -24.72 8.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -74.54 -17.17 60.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 t -92.33 -53.13 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.1 mt -59.2 -50.36 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.1 p -48.88 -39.38 25.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.028 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -78.21 -38.62 42.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.02 -30.47 71.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 mt -64.93 -52.18 57.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.68 -73.5 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -113.83 -11.84 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.73 160.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 48.9 p -119.73 160.8 40.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -17.1 19.75 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.84 -23.53 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -91.0 -50.58 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.7 t -47.53 -34.43 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.549 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 28.8 t -66.64 -41.7 87.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -67.73 -23.17 65.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.582 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' HD3' ' CE2' ' A' ' 36' ' ' TRP . 23.2 tpt180 -78.58 -30.68 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.521 ' CZ ' ' HB3' ' A' ' 53' ' ' ALA . 10.3 t80 -78.7 -51.77 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -25.31 65.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -78.56 -46.99 18.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.0 mt -54.48 -53.49 53.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.556 ' N ' ' CE ' ' A' ' 81' ' ' MET . 21.4 mmt -62.68 -12.55 24.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -84.76 -46.88 10.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.434 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 91.1 mt -54.94 -55.74 27.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -62.81 -31.39 72.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.04 -64.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.59 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -134.26 -50.51 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.434 ' CB ' ' O ' ' A' ' 83' ' ' LEU . . . 67.3 127.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -121.28 136.63 54.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 108.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 60.06 73.44 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.359 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.79 -67.58 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.54 97.21 1.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 66.65 6.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t 54.95 168.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.7 t 58.03 92.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 142.0 27.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -65.76 124.77 23.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.7 -59.63 1.24 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.37 120.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 m 56.66 165.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.046 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.14 -69.7 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.79 136.02 4.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 0.779 . . . . 0.0 109.256 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.36 -176.11 20.76 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.07 -63.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.483 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -45.71 159.16 0.31 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.483 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.97 143.23 77.16 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.0 -0.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.33 70.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.78 115.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.5 p -160.91 -57.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 64.56 122.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.69 175.62 7.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.2 t -139.46 163.72 31.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.435 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.8 p -145.49 158.03 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.1 t -174.57 94.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.36 -61.17 2.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t30 61.1 152.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -156.98 159.78 38.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.89 158.87 12.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.71 163.66 28.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.9 m -56.55 156.44 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.04 120.6 11.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.4 p -166.62 131.6 2.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.6 p -75.91 152.31 37.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.9 78.7 0.03 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.5 167.97 28.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.35 127.28 48.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 p -140.53 102.35 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.4 p -143.7 51.78 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.49 HD13 ' CD1' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -169.01 -71.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.566 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 25.3 m95 -82.58 151.03 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 38' ' ' ARG . 1.9 t -96.52 176.45 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.45 ' N ' ' OG1' ' A' ' 37' ' ' THR . 2.6 ttm-85 -74.11 -56.63 4.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' ARG . 1.1 tt0 -38.48 -61.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.29 -58.05 9.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -45.93 -36.84 5.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.4 -55.84 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.25 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.7 t -45.3 -49.31 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.1 mt -46.13 -59.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 40.5 mt -59.87 -53.77 54.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.1 m -45.56 -59.72 2.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.41 ' CE ' HG11 ' A' ' 60' ' ' VAL . 66.3 mmm -65.32 -44.87 86.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ALA . 60.8 m -60.57 -17.08 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.1 tp60 -90.5 -63.64 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.56 -60.12 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -34.24 65.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.9 149.77 10.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.135 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.568 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.18 67.44 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.763 . . . . 0.0 109.342 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.509 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 1.2 pt20 -117.04 166.82 12.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.499 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.01 -44.09 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.407 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -54.98 -19.27 6.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.587 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -83.99 -45.46 13.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 74' ' ' SER . 10.7 m-30 -48.32 -26.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -63.98 -19.57 65.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.41 HG11 ' CE ' ' A' ' 47' ' ' MET . 15.3 t -92.35 -56.77 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.4 mt -52.79 -47.8 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 58' ' ' PHE . 13.5 p -48.03 -39.74 20.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -77.23 -42.02 38.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -59.52 -42.38 92.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.425 HD12 ' CB ' ' A' ' 68' ' ' LYS . 2.6 mt -51.2 -52.79 41.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.89 -62.76 0.57 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -132.11 19.47 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.566 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 0.5 OUTLIER -86.78 147.16 25.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 p -95.19 163.35 22.02 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.53 20.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.19 -29.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.58 -44.14 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.8 t -51.94 -35.0 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.552 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 43.5 t -70.27 -51.16 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -55.99 -30.3 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -77.86 -38.65 45.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.568 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 6.4 t80 -68.58 -50.36 52.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -61.71 -24.59 66.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.4 mm-40 -78.11 -50.57 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.3 mt -51.62 -55.92 16.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.554 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.9 mmt -61.84 -12.56 18.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -76.98 -58.02 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mt -43.45 -62.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -49.3 -55.59 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -51.78 -62.15 1.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.601 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.3 m -111.37 85.17 2.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.369 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.66 -62.12 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 t 76.97 -59.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 108.289 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 61.3 115.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -124.56 -58.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -177.01 75.53 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.67 4.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.798 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t 48.61 89.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.0 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.5 p -136.92 134.55 36.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.953 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.41 6.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.39 158.63 43.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.68 -154.75 6.22 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -74.75 90.4 2.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.01 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -61.25 172.49 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.998 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.94 98.78 2.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.85 157.27 18.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.0 -167.44 31.71 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.11 74.83 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.496 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -171.13 155.54 4.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.02 153.56 99.2 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.008 -2.496 . . . . 0.0 110.995 -0.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -52.71 113.81 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.93 107.87 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.8 p -146.31 146.02 30.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.033 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 63.38 122.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.81 141.37 21.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 m -123.25 129.71 51.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.415 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -149.18 153.42 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.19 161.53 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.83 163.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.22 -54.06 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -47.05 157.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.2 t -178.83 136.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.039 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.41 105.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 p -159.45 135.2 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.4 t -96.55 -60.86 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.8 p 49.51 95.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.4 m -109.22 145.23 36.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.62 -120.79 6.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 60.88 107.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 110.275 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -73.11 159.17 33.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p -162.47 114.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.0 p -163.96 54.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mt -168.4 -54.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.569 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 7.1 m95 -91.91 150.45 21.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 107.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 m -93.93 134.47 36.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -46.18 -62.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -39.45 -51.38 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.29 -43.98 92.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ARG . 13.5 m-20 -63.49 -39.4 94.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -71.26 -54.21 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 46' ' ' THR . 69.1 t -40.52 -59.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.465 HG12 ' CG2' ' A' ' 61' ' ' ILE . 56.6 mt -46.17 -53.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 mt -52.52 -31.3 34.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' VAL . 89.8 m -81.78 -54.05 5.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.3 mmm -59.44 -53.4 58.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' ALA . 13.8 p -58.82 -18.18 30.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -90.18 -66.44 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.77 -60.07 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -73.24 -33.7 65.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 108.62 147.08 12.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -69.36 81.59 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.411 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 1.4 pt20 -127.45 157.21 73.58 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.462 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -75.1 -11.72 21.31 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -85.7 -17.19 36.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -85.19 -42.37 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.502 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 5.7 m-30 -48.81 -22.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -68.75 -27.85 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -88.06 -48.3 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.482 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 30.3 mt -51.13 -46.89 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -44.33 56.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -72.4 -43.84 63.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.224 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -57.99 -35.1 70.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.417 ' N ' HD22 ' A' ' 65' ' ' LEU . 1.5 mt -70.45 -50.92 33.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.46 -72.38 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.1 -13.17 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.569 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 0.9 OUTLIER -47.62 152.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.7 p -107.74 160.58 26.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.89 19.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.4 p -86.79 -39.0 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 75' ' ' HIS . 4.9 mm-40 -73.63 -47.43 40.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 10.3 t -44.39 -43.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.502 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 7.3 t -65.47 -39.89 92.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' GLU . 33.2 m170 -62.87 -26.59 68.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HD3' ' CD2' ' A' ' 36' ' ' TRP . 23.6 tpt180 -80.55 -35.25 34.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.245 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.562 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 11.5 t80 -72.81 -49.54 29.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -63.15 -23.91 67.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 6.5 mm-40 -80.04 -48.08 13.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.0 mt -52.18 -56.26 15.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.549 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.4 mmt -61.93 -12.52 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -79.8 -54.97 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 mt -45.07 -62.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -47.29 -50.75 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -46.67 -62.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.5 m -150.58 108.64 3.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -142.2 172.5 12.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.18 77.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 108.318 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -136.39 164.72 27.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -164.67 159.62 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.98 157.71 21.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.41 41.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.7 p -166.98 156.24 10.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.5 m 62.83 -94.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.963 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.92 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 177.13 9.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 p -149.36 166.49 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.954 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.3 -125.16 4.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m 62.13 134.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -169.57 101.56 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.98 162.3 29.82 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.23 164.88 36.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.283 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.66 149.31 16.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.8 142.35 17.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.535 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER 63.6 148.11 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.02 163.62 90.29 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.045 -0.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.92 -72.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.68 157.59 36.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.15 -56.37 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 62.17 169.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.8 172.97 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.3 p -146.97 165.12 30.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.7 t -123.06 119.53 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.0 p -124.9 164.36 20.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 108.247 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.14 108.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 174.86 98.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.24 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -175.0 -56.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.6 p -50.41 137.32 19.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -177.18 -63.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.0 p -73.67 158.0 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.23 141.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.2 t -177.99 139.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -160.01 140.67 12.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.65 140.6 3.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -140.83 100.28 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.288 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 61.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.5 t -131.45 83.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.466 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 56.0 t -116.85 57.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -164.91 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.541 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 17.6 m95 -72.84 158.19 36.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 107.983 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 77.8 p -99.69 163.59 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -56.79 -61.19 2.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.82 -59.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -54.34 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.68 -38.17 31.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -75.36 -55.72 5.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.1 t -40.71 -43.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.2 mt -55.39 -60.03 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 49' ' ' GLN . 62.5 mt -59.46 -55.1 38.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -45.02 -63.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 86.1 mmm -58.15 -44.25 87.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.411 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 10.2 m -61.18 -21.01 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 17.4 tt0 -90.48 -61.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.87 -60.0 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -74.15 -29.65 61.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 106.4 154.07 20.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . . . -79.33 72.21 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -118.29 157.37 49.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.451 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -74.98 -10.01 21.05 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -88.59 -15.01 36.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.5 m -89.24 -35.37 16.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 9.7 m-30 -52.76 -24.62 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -76.8 -17.1 59.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.21 -54.12 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.6 mt -56.93 -36.47 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -48.58 54.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -70.68 -39.82 73.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -55.29 -39.52 69.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.29 -52.18 66.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.47 -51.44 0.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -147.02 19.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.787 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.541 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -80.26 153.39 28.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.1 p -106.48 162.73 18.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -16.85 19.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.29 -25.23 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -91.43 -41.16 11.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.332 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.8 t -58.99 -30.7 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -73.14 -50.52 22.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.039 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 9.4 m170 -61.16 -27.5 68.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.54 ' NH1' ' CB ' ' A' ' 36' ' ' TRP . 5.4 tpt180 -79.7 -33.93 40.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 53' ' ' ALA . 7.8 t80 -68.13 -49.08 63.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -68.05 -19.93 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' GLN . 5.2 mm-40 -79.36 -50.47 10.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 84' ' ' PHE . 77.4 mt -44.42 -33.5 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.459 ' CE ' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -91.58 -28.06 17.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 79' ' ' GLU . 40.7 tp60 -68.35 -32.3 72.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.62 -39.32 58.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 5.9 m-85 -64.72 -51.1 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -45.66 -61.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.584 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.8 m -132.3 113.42 13.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -115.08 153.38 30.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 7.4 p -153.66 165.84 34.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 62.0 135.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.3 p -164.56 96.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 170.0 170.83 34.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.65 42.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.5 p -155.85 123.57 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.7 m -84.52 163.61 19.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' ASP . 3.6 tpt180 -46.82 -62.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -39.34 -55.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.72 62.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.9 m-20 -69.09 -37.24 78.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -66.36 -55.92 13.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.3 t -42.66 -45.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.561 HG12 HG13 ' A' ' 73' ' ' VAL . 48.9 mt -48.3 -61.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' GLN . 47.3 mt -55.91 -49.15 74.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.0 m -51.09 -61.96 1.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.471 ' HB2' HD11 ' A' ' 61' ' ' ILE . 97.4 mmm -61.13 -50.77 71.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ALA . 58.0 m -59.46 -17.67 33.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LEU . 33.9 tt0 -90.5 -62.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.65 -59.99 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -33.72 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.513 ' O ' HG21 ' A' ' 57' ' ' THR . . . 111.7 146.25 10.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.586 1.179 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -74.92 58.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.459 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -83.97 169.35 17.33 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.95 -48.13 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -36.33 76.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.513 HG21 ' O ' ' A' ' 52' ' ' GLY . 1.3 m -45.71 -43.72 13.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -51.82 -20.18 2.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -74.46 -16.37 60.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.436 ' CG1' ' HE2' ' A' ' 47' ' ' MET . 20.3 t -84.8 -63.67 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.621 ' CG2' HD21 ' A' ' 65' ' ' LEU . 4.0 mt -48.61 -51.42 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -40.25 -40.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -79.64 -40.05 30.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' ILE . 12.5 mm100 -59.36 -40.56 86.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.621 HD21 ' CG2' ' A' ' 61' ' ' ILE . 6.2 mt -54.46 -54.13 44.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.2 -64.17 0.34 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -141.51 19.1 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.47 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -69.85 179.78 2.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.3 p -129.24 160.26 64.88 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -16.72 20.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.9 p -83.8 -30.29 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -86.52 -46.46 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.561 HG13 HG12 ' A' ' 44' ' ' ILE . 10.7 t -49.39 -41.21 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 t -69.86 -44.22 70.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.033 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -33.51 66.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -78.12 -44.6 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.654 ' HA ' HD12 ' A' ' 80' ' ' LEU . 10.6 t80 -61.5 -48.01 83.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -24.9 67.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -83.04 -41.04 19.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 77' ' ' PHE . 36.7 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.499 HG23 ' H ' ' A' ' 40' ' ' ALA . 10.0 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -40.63 -63.47 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' ARG . 3.5 mm-40 -37.67 -58.73 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.499 ' H ' HG23 ' A' ' 37' ' ' THR . . . -49.56 -45.06 47.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.5 m-20 -66.66 -37.24 84.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 42' ' ' ARG . 5.4 mmm180 -67.47 -58.92 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -43.29 -40.37 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.453 HG12 HG21 ' A' ' 61' ' ' ILE . 3.9 mt -56.27 -58.32 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.728 HD21 HD13 ' A' ' 80' ' ' LEU . 35.7 mt -60.44 -55.92 27.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -48.07 -57.51 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 80.2 mmm -63.16 -46.4 87.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.402 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 64.2 m -61.49 -17.2 53.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 45' ' ' LEU . 31.7 tt0 -90.57 -64.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.24 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.04 -60.14 4.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -33.79 64.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 110.36 160.34 17.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.489 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -83.21 75.19 9.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 0.809 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.51 157.44 56.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.557 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.03 -8.1 19.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.58 -22.44 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.605 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.525 HG22 ' CD1' ' A' ' 61' ' ' ILE . 2.1 m -79.83 -40.1 29.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.432 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 7.1 m-30 -50.6 -29.69 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -67.4 -18.91 65.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 t -91.37 -55.16 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.525 ' CD1' HG22 ' A' ' 57' ' ' THR . 7.5 mt -56.81 -46.31 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 t -45.76 -35.84 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -85.09 -41.57 15.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -56.45 -34.68 67.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.818 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.6 mt -58.54 -50.61 73.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.38 -57.27 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -140.44 15.89 2.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.818 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.0 159.17 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.7 p -106.54 163.11 17.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.01 20.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 72' ' ' GLU . 9.0 p -83.7 -49.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.469 ' N ' HG13 ' A' ' 71' ' ' VAL . 8.5 mm-40 -58.41 -54.49 46.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 69' ' ' THR . 93.7 t -42.23 -50.23 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.557 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 17.6 t -59.18 -43.38 92.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -62.94 -31.84 73.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.626 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -77.39 -40.14 44.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.489 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 10.5 t80 -63.36 -49.18 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -24.5 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -79.64 -40.6 28.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.728 HD13 HD21 ' A' ' 45' ' ' LEU . 29.0 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -74.65 -62.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.88 -65.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.13 -47.94 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.79 -43.69 77.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -69.61 -54.53 13.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.86 -55.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.879 HG12 HG21 ' A' ' 61' ' ' ILE . 18.1 mt -41.41 -57.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 49' ' ' GLN . 34.1 mt -59.13 -54.18 49.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.8 m -46.38 -60.83 2.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 59.7 mtp -63.13 -44.22 96.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.5 m -59.68 -20.74 58.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 45' ' ' LEU . 35.4 tp60 -89.44 -64.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.01 -60.04 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -71.11 -32.06 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.19 149.33 15.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.421 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -75.19 74.24 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -122.32 157.26 59.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.512 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.98 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.47 -15.06 25.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -88.63 -39.82 13.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 5.4 m-30 -50.26 -29.45 9.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.0 t -65.44 -18.34 65.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.3 t -92.34 -51.25 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.879 HG21 HG12 ' A' ' 44' ' ' ILE . 8.8 mt -56.0 -49.4 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.82 -48.65 20.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -68.83 -36.85 78.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -67.67 -30.77 70.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.841 HD12 ' HG2' ' A' ' 68' ' ' LYS . 3.8 mt -69.34 -52.9 22.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.65 -77.64 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -108.44 -13.75 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.841 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -48.71 156.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 73' ' ' VAL . 74.6 p -110.42 160.48 28.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -16.54 19.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.7 p -87.06 -38.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.38 -47.24 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 69' ' ' THR . 18.2 t -46.1 -38.6 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.567 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 22.5 t -69.13 -43.52 74.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -61.38 -33.56 73.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -76.8 -36.62 56.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.467 ' HA ' HD12 ' A' ' 80' ' ' LEU . 7.9 t80 -57.15 -48.23 79.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.87 -24.86 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 38.7 mt-10 -75.2 -47.84 26.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 77' ' ' PHE . 29.3 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -45.7 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.26 -52.06 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.18 85.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ARG . 59.6 m-20 -63.72 -47.92 79.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 42' ' ' ARG . 12.3 mtp-105 -60.66 -45.7 93.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.9 t -45.4 -50.43 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.555 HG12 HG21 ' A' ' 61' ' ' ILE . 77.6 mt -55.07 -55.9 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 mt -50.47 -29.49 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.1 m -82.6 -55.63 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.384 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.426 ' HE2' HG12 ' A' ' 60' ' ' VAL . 88.7 mmm -60.05 -56.23 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.419 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 13.7 p -54.15 -21.6 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -87.85 -64.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -60.05 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.483 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -71.58 -32.02 67.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 105.6 145.95 13.87 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -68.36 76.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 0.806 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -122.53 157.29 59.6 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.1 Cg_endo -75.07 -3.84 14.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.19 -15.42 25.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.585 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.648 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.4 m -88.98 -36.37 15.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.442 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 8.8 m-30 -53.34 -26.09 17.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -77.62 -16.89 58.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.426 HG12 ' HE2' ' A' ' 47' ' ' MET . 15.9 t -88.28 -56.29 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.648 ' CD1' HG22 ' A' ' 57' ' ' THR . 4.1 mt -51.63 -40.31 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -46.25 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -71.74 -31.08 66.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -67.59 -46.16 73.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.701 HD12 ' HG2' ' A' ' 68' ' ' LYS . 3.7 mt -54.72 -48.98 71.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.76 -57.89 0.57 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -141.55 16.37 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.701 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -75.24 149.58 38.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.74 ' O ' HG23 ' A' ' 73' ' ' VAL . 3.0 p -101.03 162.03 21.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.83 19.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.94 -24.69 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -91.07 -46.32 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 69' ' ' THR . 88.6 t -52.96 -35.75 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.585 ' OG ' ' CE2' ' A' ' 58' ' ' PHE . 1.9 t -71.72 -43.34 66.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 66.5 m170 -66.39 -28.38 68.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.573 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -76.25 -36.32 58.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.9 -53.22 42.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -63.71 -21.68 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 4.1 mm-40 -76.0 -52.08 10.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.248 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -87.2 -62.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -39.01 -50.69 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.92 86.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' ARG . 6.7 t0 -62.63 -44.09 97.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 15.0 mtp-105 -62.65 -53.41 54.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 t -42.05 -50.01 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.785 ' CG1' HG21 ' A' ' 61' ' ' ILE . 62.4 mt -57.98 -54.83 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.438 HD21 HD13 ' A' ' 80' ' ' LEU . 36.3 mt -52.73 -25.64 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 m -85.98 -52.36 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.35 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.438 ' CE ' ' CG1' ' A' ' 60' ' ' VAL . 71.6 mmm -63.99 -55.59 21.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.415 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 14.0 p -53.75 -21.91 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -86.87 -64.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -60.08 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.4 -33.13 71.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 107.78 148.13 13.86 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.2 78.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -126.43 157.33 70.87 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.552 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.5 Cg_endo -74.92 -2.71 12.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.59 -16.38 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.565 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.675 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.2 m -87.59 -38.84 15.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 5.8 m-30 -51.56 -30.05 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 t -71.49 -17.24 62.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.438 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 15.5 t -92.28 -49.35 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.785 HG21 ' CG1' ' A' ' 44' ' ' ILE . 6.8 mt -59.22 -41.81 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -46.92 53.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.055 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -70.84 -35.33 72.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -63.3 -44.71 94.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.755 HD12 ' HG2' ' A' ' 68' ' ' LYS . 3.5 mt -54.05 -49.22 69.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.1 -56.87 0.56 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -146.11 19.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.755 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -75.4 154.49 37.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.9 p -97.1 157.63 34.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.4 20.85 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.87 -44.45 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.78 -44.56 73.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 44' ' ' ILE . 6.2 t -49.3 -42.19 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.546 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 7.5 t -70.51 -47.91 58.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.039 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -56.39 -27.24 55.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.645 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -76.43 -36.93 57.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -66.71 -53.4 33.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -57.44 -22.04 40.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 16.7 mm-40 -82.77 -51.04 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.438 HD13 HD21 ' A' ' 45' ' ' LEU . 33.7 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 41' ' ' ASP . 19.0 tpp85 -39.93 -65.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.875 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.1 mt-10 -39.93 -49.18 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.54 97.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.556 ' OD2' HD21 ' A' ' 80' ' ' LEU . 5.4 t0 -60.1 -51.51 69.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -63.31 -42.61 99.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 39' ' ' GLU . 18.9 t -47.59 -61.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.916 HG12 HG21 ' A' ' 61' ' ' ILE . 97.1 mt -45.43 -52.33 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.7 mt -53.63 -34.34 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' VAL . 56.3 m -78.14 -52.55 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.536 ' HE2' ' HG3' ' A' ' 51' ' ' GLN . 1.4 mtp -60.69 -57.31 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' ALA . 13.8 p -55.77 -20.35 14.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -86.69 -63.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 -60.06 3.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.536 ' HG3' ' HE2' ' A' ' 47' ' ' MET . 11.6 mm100 -70.04 -32.79 71.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.778 ' O ' HG21 ' A' ' 57' ' ' THR . . . 109.82 148.11 12.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -79.23 55.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.463 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -85.78 169.15 16.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.97 -40.85 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -75.7 -38.33 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.601 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.778 HG21 ' O ' ' A' ' 52' ' ' GLY . 1.2 m -44.73 -43.68 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 17.3 m-30 -50.46 -24.82 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.9 t -69.24 -17.71 63.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.5 t -83.53 -59.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.916 HG21 HG12 ' A' ' 44' ' ' ILE . 9.8 mt -51.37 -42.37 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -40.44 31.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -76.02 -37.61 58.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -62.77 -41.21 99.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.723 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.9 mt -55.68 -50.85 69.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.84 -57.25 0.59 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -141.79 17.79 2.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.723 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.91 148.48 31.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 p -99.14 163.22 19.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.365 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.85 18.46 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.7 p -78.5 -29.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.57 -41.26 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.52 -33.1 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.57 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 17.3 t -75.54 -16.34 60.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -91.46 -24.85 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.599 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -83.18 -32.82 26.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -72.2 -46.87 54.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -25.54 68.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.42 -48.21 15.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.556 HD21 ' OD2' ' A' ' 41' ' ' ASP . 74.9 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -64.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.863 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -42.32 -51.12 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.56 96.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -44.08 93.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -69.31 -50.68 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 39' ' ' GLU . 54.3 t -42.99 -45.0 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.672 HG12 HG13 ' A' ' 73' ' ' VAL . 85.5 mt -54.03 -59.15 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 49' ' ' GLN . 47.5 mt -59.86 -47.25 86.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -53.72 -58.28 7.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.696 ' CE ' HG11 ' A' ' 60' ' ' VAL . 27.2 mmm -61.69 -50.51 72.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . 86.9 m -63.43 -14.68 53.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 34.7 tp60 -90.58 -64.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -60.15 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.468 ' HG3' ' CE ' ' A' ' 47' ' ' MET . 9.5 mm100 -73.49 -33.61 64.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' HG21 ' A' ' 57' ' ' THR . . . 112.53 149.77 10.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -76.0 57.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.404 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -82.29 169.3 18.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.97 -49.66 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -36.22 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.611 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.548 HG21 ' O ' ' A' ' 52' ' ' GLY . 1.3 m -45.28 -44.43 11.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 22.2 m-85 -50.73 -21.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -70.85 -16.38 62.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.696 HG11 ' CE ' ' A' ' 47' ' ' MET . 21.5 t -81.77 -72.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.491 HG21 ' CG1' ' A' ' 44' ' ' ILE . 2.5 mt -42.19 -47.38 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -42.4 -49.5 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -70.67 -38.86 73.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -57.55 -43.31 84.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.611 HD12 ' CG ' ' A' ' 68' ' ' LYS . 5.3 mt -57.07 -52.51 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.44 -71.78 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.83 5.44 8.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.611 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -62.76 162.36 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.3 p -115.14 163.02 21.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.57 20.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.8 p -80.1 -34.93 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.96 -42.63 19.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.672 HG13 HG12 ' A' ' 44' ' ' ILE . 44.5 t -53.24 -40.32 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.522 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 36.2 t -68.24 -37.29 80.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -65.62 -32.45 74.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -78.46 -30.07 47.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.437 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 10.2 t80 -75.16 -44.16 48.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.939 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.21 -24.63 65.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.2 mm-40 -80.0 -43.72 21.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.4 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.9 tpt180 -39.39 -63.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.868 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -39.43 -54.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.3 96.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -61.12 -48.22 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -68.14 -51.95 40.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 39' ' ' GLU . 55.1 t -40.51 -43.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.42 HG12 HG21 ' A' ' 61' ' ' ILE . 73.0 mt -55.9 -63.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 55.5 mt -56.19 -43.97 78.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -52.34 -66.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.441 ' HE3' HG13 ' A' ' 60' ' ' VAL . 14.4 mmm -61.9 -41.95 98.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.408 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 95.9 m -63.26 -20.66 65.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 12.3 tp60 -88.89 -63.24 1.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -59.73 4.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -72.46 -30.29 64.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 106.09 157.43 21.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -81.24 81.3 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.97 157.21 72.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.473 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -75.06 -10.75 21.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.568 1.825 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -86.84 -15.14 40.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.578 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.8 m -87.06 -42.76 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 8.7 m-30 -47.9 -23.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -67.2 -29.71 69.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.946 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -86.82 -48.6 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.491 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 21.6 mt -51.09 -56.38 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.4 t -40.49 -50.08 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -50.1 62.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -53.74 -33.2 54.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.529 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.7 mt -60.64 -49.54 77.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.79 -60.9 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -144.08 17.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.529 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -71.04 -176.55 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.9 p -128.19 160.47 61.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -15.85 20.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.1 p -82.43 -45.45 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 75' ' ' HIS . 4.2 mm-40 -64.88 -50.0 68.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 69' ' ' THR . 38.2 t -44.05 -36.68 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -72.84 -42.28 63.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' GLU . 59.1 m170 -66.77 -31.08 71.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -77.88 -35.56 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.507 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 9.9 t80 -68.4 -51.45 43.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -24.43 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.46 -49.22 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.5 tpt180 -47.12 -62.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' ARG . 25.4 tt0 -37.91 -71.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.81 42.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.01 -42.69 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -74.58 -55.11 6.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 51.2 t -40.47 -47.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.445 HG12 HG21 ' A' ' 61' ' ' ILE . 7.3 mt -52.01 -60.7 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 37.3 mt -58.4 -47.11 84.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 m -52.4 -63.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 86.1 mmm -60.98 -44.67 97.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 94.2 m -63.51 -18.89 64.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.9 tp60 -89.86 -63.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -60.01 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -72.9 -31.13 64.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' CYS . . . 107.5 152.49 17.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.92 77.74 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.76 157.2 63.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.645 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.03 -6.81 18.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -90.87 -15.24 30.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.564 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.543 HG22 ' CD1' ' A' ' 61' ' ' ILE . 2.4 m -87.83 -40.03 14.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.645 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 7.3 m-30 -49.78 -30.76 10.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.4 t -64.8 -19.26 65.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.5 t -92.3 -50.47 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.543 ' CD1' HG22 ' A' ' 57' ' ' THR . 6.8 mt -61.46 -40.29 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.6 p -53.32 -36.16 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -81.61 -39.17 24.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.24 -39.59 87.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.798 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.0 mt -55.97 -50.43 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.24 -60.31 0.61 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -135.75 15.89 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 0.727 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.798 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -80.41 143.24 33.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.8 p -89.46 161.29 40.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.451 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -16.18 20.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.4 p -81.88 -30.19 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.439 ' CB ' ' HE2' ' A' ' 68' ' ' LYS . 5.0 mm-40 -77.54 -47.26 19.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.4 t -46.59 -35.97 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.508 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 5.1 t -76.98 -45.48 27.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -61.88 -35.13 77.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -74.89 -42.86 57.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.502 ' HA ' HD12 ' A' ' 80' ' ' LEU . 7.7 t80 -57.48 -52.39 65.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -61.6 -20.82 63.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.3 mm-40 -84.09 -39.4 19.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 77' ' ' PHE . 64.4 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -43.73 -60.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' ARG . 11.4 mt-10 -38.73 -64.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.04 -42.43 18.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 38' ' ' ARG . 5.7 m-20 -65.31 -47.7 75.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' VAL . 4.7 mmp_? -62.58 -57.11 12.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.5 t -40.48 -54.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.807 HG12 HG21 ' A' ' 61' ' ' ILE . 7.5 mt -45.46 -62.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.834 HD21 HD13 ' A' ' 80' ' ' LEU . 44.5 mt -57.13 -51.86 67.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.4 m -48.21 -65.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' GLN . 7.0 mmm -58.66 -53.04 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . 89.8 m -54.77 -21.07 9.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.6 tp-100 -90.54 -61.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -58.85 5.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' MET . 1.5 mt-30 -73.71 -31.28 63.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.556 ' O ' HG21 ' A' ' 57' ' ' THR . . . 107.71 145.02 11.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.49 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -75.77 57.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.452 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -83.4 168.98 18.96 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.452 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.96 -41.85 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -75.09 -37.6 61.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.579 ' O ' HG12 ' A' ' 60' ' ' VAL . 1.9 m -44.45 -45.67 9.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.369 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.407 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 22.4 m-85 -48.45 -22.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -68.85 -26.93 65.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 57' ' ' THR . 0.8 OUTLIER -79.95 -37.64 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.807 HG21 HG12 ' A' ' 44' ' ' ILE . 50.2 mt -71.11 -50.79 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.409 ' CB ' ' C ' ' A' ' 69' ' ' THR . 90.4 p -49.77 -34.97 20.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -83.14 -48.48 10.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -53.98 -32.16 53.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.691 HD12 ' HG2' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -66.32 -50.79 62.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.37 -72.42 0.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -112.76 -13.86 13.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.791 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.691 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -49.69 157.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.409 ' C ' ' CB ' ' A' ' 62' ' ' SER . 10.2 p -113.53 163.29 18.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -18.64 18.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.8 p -80.83 -38.26 16.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' HIS . 6.2 mm-40 -73.58 -52.88 11.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 t -40.73 -44.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.407 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 21.6 t -63.76 -46.83 83.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' GLU . 19.2 m-70 -56.53 -37.14 70.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.605 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -73.69 -40.59 63.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.514 ' HA ' HD12 ' A' ' 80' ' ' LEU . 5.9 t80 -64.13 -53.6 47.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -60.37 -24.38 65.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 7.0 mm-40 -78.59 -39.67 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.834 HD13 HD21 ' A' ' 45' ' ' LEU . 31.1 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.3 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -38.78 -63.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.9 mt-10 -38.31 -63.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.11 -41.0 11.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.2 m-20 -70.57 -38.34 74.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' GLU . 12.9 mmm180 -68.04 -56.91 7.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.425 ' CG1' ' SD ' ' A' ' 47' ' ' MET . 47.5 t -41.35 -42.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.1 mt -52.27 -68.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 mt -53.48 -43.13 67.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.5 m -50.92 -69.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.383 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' GLN . 8.9 mtp -62.21 -47.87 82.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 93.7 m -51.2 -23.58 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.28 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -89.45 -61.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.5 -59.79 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' MET . 26.8 mt-30 -72.98 -32.53 65.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 108.26 149.76 14.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.1 81.48 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.54 157.17 71.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.0 -8.26 19.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.83 -18.15 28.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.641 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.436 HG22 HD11 ' A' ' 61' ' ' ILE . 35.3 m -84.21 -42.91 15.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 10.6 m-30 -47.1 -23.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 t -66.37 -31.64 72.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -84.7 -48.83 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.494 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 7.5 mt -51.4 -53.61 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 t -43.95 -47.28 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -68.95 -47.93 64.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -55.31 -38.97 69.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.586 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.5 mt -54.6 -52.08 63.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.75 -64.28 0.45 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -139.23 14.29 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.586 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -64.71 -168.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.954 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.3 p -137.99 159.7 67.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.427 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.9 20.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.4 p -87.91 -39.11 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' HIS . 3.5 mm-40 -70.93 -52.0 22.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 69' ' ' THR . 97.4 t -40.87 -42.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 34.8 t -66.39 -45.39 80.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER -59.03 -27.28 65.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -82.8 -40.34 20.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.498 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 9.6 t80 -67.41 -46.54 72.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.3 -23.58 65.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.324 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 3.9 mm-40 -79.23 -45.82 19.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.63 HG22 ' HB3' ' A' ' 40' ' ' ALA . 12.2 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -86.63 -65.22 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -39.19 -60.06 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.63 ' HB3' HG22 ' A' ' 37' ' ' THR . . . -54.48 -41.86 70.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.234 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.3 m-20 -62.69 -40.2 96.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' LEU . 7.3 mtp180 -72.45 -49.62 32.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 t -43.23 -51.54 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 1.026 HG12 HG21 ' A' ' 61' ' ' ILE . 52.8 mt -52.71 -42.88 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.472 ' O ' ' CB ' ' A' ' 49' ' ' GLN . 43.9 mt -64.57 -38.41 90.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.3 m -71.34 -49.58 40.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.518 ' CE ' ' CG1' ' A' ' 60' ' ' VAL . 78.6 mmm -61.26 -59.52 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.469 ' HB2' ' HB2' ' A' ' 53' ' ' ALA . 13.7 p -56.39 -19.81 16.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 30.2 tt0 -83.2 -63.94 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.61 -59.98 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' MET . 7.3 mm100 -63.4 -33.41 75.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.47 118.56 3.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -45.95 109.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.743 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.522 ' NE2' ' HA ' ' A' ' 54' ' ' GLN . 6.9 mm-40 -139.66 164.14 40.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.68 12.63 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.522 1.801 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -42.6 9.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.665 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -42.57 -44.93 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 74' ' ' SER . 23.0 m-85 -47.56 -29.6 2.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -60.35 -17.97 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.518 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 28.7 t -88.51 -50.91 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.026 HG21 HG12 ' A' ' 44' ' ' ILE . 4.7 mt -57.44 -50.13 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.14 -45.38 16.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -72.26 -38.53 68.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.64 -26.39 66.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.827 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.8 mt -72.66 -52.64 14.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.47 -77.02 0.32 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.435 1.085 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.45 -17.18 13.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.827 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -45.17 156.33 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.714 ' O ' HG23 ' A' ' 73' ' ' VAL . 70.0 p -109.31 160.55 27.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.425 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -16.46 20.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.55 1.816 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 p -86.79 -32.69 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -76.9 -49.19 16.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 69' ' ' THR . 53.0 t -43.13 -42.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 16.7 t -63.38 -49.17 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -54.52 -27.76 40.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.575 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -81.17 -37.27 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.562 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 6.0 t80 -67.35 -44.39 79.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -68.22 -24.38 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.4 mm-40 -78.47 -49.24 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -53.53 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.2 tp10 -41.65 -61.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.58 -46.22 73.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.64 -51.95 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -64.26 -47.5 79.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 39' ' ' GLU . 25.1 t -41.58 -44.29 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.409 ' CD1' ' HG2' ' A' ' 76' ' ' ARG . 67.3 mt -53.63 -63.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLN . 44.2 mt -57.6 -49.19 77.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -47.79 -63.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.516 ' HE3' ' CG1' ' A' ' 60' ' ' VAL . 31.3 mmm -64.28 -38.85 92.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 58.4 m -64.64 -17.89 64.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' LEU . 17.0 tt0 -90.54 -65.04 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -60.01 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.403 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 3.8 mt-30 -73.62 -32.05 63.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 107.98 156.26 19.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -80.1 77.13 6.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -121.85 157.17 58.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.473 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -74.98 -11.37 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.803 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.13 -14.85 40.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.3 m -86.22 -42.89 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 10.4 m-30 -47.77 -23.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.2 t -67.21 -30.4 70.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.516 ' CG1' ' HE3' ' A' ' 47' ' ' MET . 0.3 OUTLIER -86.06 -48.71 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.496 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 32.1 mt -50.87 -49.8 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.97 -49.38 5.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -50.79 47.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -49.36 -39.33 31.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.64 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.0 mt -59.56 -51.34 70.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.86 -57.47 0.56 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -143.63 17.47 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.754 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.64 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -73.98 159.16 33.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.2 p -104.79 160.84 24.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.67 20.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -82.14 -45.4 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' HIS . 5.0 mm-40 -64.33 -48.73 74.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 69' ' ' THR . 55.9 t -51.34 -26.77 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.433 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 26.5 t -80.41 -28.78 37.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' GLU . 66.3 m-70 -81.76 -25.99 34.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HG2' ' CD1' ' A' ' 44' ' ' ILE . 12.2 tpt180 -77.65 -36.55 51.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.567 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 4.7 t80 -67.26 -51.56 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -63.27 -24.55 67.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.7 mm-40 -79.17 -49.23 12.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.7 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.602 HG23 ' H ' ' A' ' 40' ' ' ALA . 5.1 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' GLU . 2.5 tpt180 -57.68 -62.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.5 OUTLIER -38.48 -57.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.602 ' H ' HG23 ' A' ' 37' ' ' THR . . . -52.07 -46.89 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.23 -35.26 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -72.18 -43.38 64.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 39' ' ' GLU . 71.9 t -56.27 -61.24 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.611 HG12 HG21 ' A' ' 61' ' ' ILE . 81.2 mt -40.3 -41.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.52 -61.56 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -51.98 -49.21 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLN . 97.7 mmm -59.7 -63.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.5 p -55.22 -20.51 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -81.77 -65.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -59.35 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -66.04 -32.19 73.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.577 ' O ' HG21 ' A' ' 57' ' ' THR . . . 105.88 149.29 17.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.47 55.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -84.99 168.22 21.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.559 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -74.99 -44.52 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -70.13 -38.44 75.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.587 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.577 HG21 ' O ' ' A' ' 52' ' ' GLY . 1.2 m -45.31 -42.39 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.357 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 14.3 m-30 -51.98 -23.37 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.9 t -74.13 -16.74 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.9 t -84.12 -59.5 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.611 HG21 HG12 ' A' ' 44' ' ' ILE . 2.6 mp -52.13 -43.05 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.08 -38.48 3.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -82.58 -35.15 27.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -59.44 -53.8 53.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.664 HD12 ' CG ' ' A' ' 68' ' ' LYS . 4.5 mt -46.18 -49.3 17.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.2 -51.24 0.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.22 25.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.664 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.49 150.88 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.885 ' O ' HG23 ' A' ' 73' ' ' VAL . 14.5 p -92.4 161.02 33.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.53 20.18 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.0 p -86.57 -37.32 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.71 -45.74 50.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 69' ' ' THR . 99.2 t -53.0 -52.14 31.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.491 ' OG ' ' CE2' ' A' ' 58' ' ' PHE . 4.7 t -61.03 -41.51 96.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -59.43 -28.24 66.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -80.43 -38.38 30.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.07 -45.41 83.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 5.7 ppt_? -70.83 -28.98 65.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 36.5 mt-10 -73.33 -37.95 65.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 75.3 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.1 tpt180 -53.51 -60.21 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 43' ' ' VAL . 4.6 mt-10 -38.33 -66.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.19 -52.12 47.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -37.75 50.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' ARG . 23.5 mtm180 -76.05 -51.07 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 39' ' ' GLU . 72.4 t -41.57 -61.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.916 ' CG1' HG21 ' A' ' 61' ' ' ILE . 43.6 mt -45.9 -54.6 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.6 mt -50.28 -39.52 45.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.7 m -73.35 -52.54 13.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.379 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.439 ' CE ' ' CG1' ' A' ' 60' ' ' VAL . 91.9 mmm -61.69 -66.06 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.479 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 14.5 p -42.91 -33.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.344 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -70.17 -59.76 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -60.08 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -63.4 -35.5 80.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 88.9 47.69 4.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.421 1.076 . . . . 0.0 110.971 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . . . 42.15 63.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.08 169.75 17.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.87 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.82 -32.38 35.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.567 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -49.75 -39.4 37.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 74' ' ' SER . 29.7 m-85 -52.3 -23.99 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t -88.01 -18.75 28.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.439 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 41.2 t -75.09 -60.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.916 HG21 ' CG1' ' A' ' 44' ' ' ILE . 3.1 mt -55.44 -43.83 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.11 -43.03 20.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -76.49 -39.44 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -61.63 -28.15 69.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.687 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.9 mt -70.19 -49.1 53.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.13 -60.5 0.55 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -139.41 14.73 2.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.75 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.687 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -71.24 159.06 35.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.0 p -105.94 160.43 26.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -74.97 -16.28 20.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -86.73 -37.61 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.16 -39.37 68.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.1 t -61.09 -47.65 92.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.475 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 5.9 t -62.93 -26.04 68.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -78.15 -29.45 48.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.578 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -83.2 -32.57 26.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 9.7 t80 -72.08 -35.76 69.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -78.7 -23.07 45.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 2.6 mm-40 -78.82 -46.37 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.8 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 41' ' ' ASP . 1.5 tpt180 -45.86 -60.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -38.41 -52.91 1.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.2 76.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 38' ' ' ARG . 28.3 m-20 -63.1 -42.5 99.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -66.29 -60.99 2.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 t -40.96 -44.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mt -50.44 -59.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLN . 35.6 mt -59.3 -48.85 80.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.0 m -51.98 -60.99 2.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.472 ' CE ' HG11 ' A' ' 60' ' ' VAL . 36.3 mmm -62.54 -46.32 88.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.402 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 96.7 m -61.92 -19.48 62.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.1 tp60 -89.65 -64.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -59.31 5.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -73.16 -30.28 63.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 105.83 152.02 20.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.17 76.24 3.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.747 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -120.85 157.21 55.37 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.575 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.99 -11.18 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.57 -24.28 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.626 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.5 m -78.05 -38.45 44.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 10.8 m-30 -51.29 -27.59 9.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -70.34 -17.35 63.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.472 HG11 ' CE ' ' A' ' 47' ' ' MET . 16.1 t -92.27 -56.58 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.42 ' CG2' HD21 ' A' ' 65' ' ' LEU . 8.9 mt -51.3 -45.64 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.97 -55.51 6.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -63.29 -43.81 96.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -56.26 -41.25 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.65 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.3 mt -53.88 -53.1 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.72 -58.01 0.52 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.09 16.34 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.65 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -74.85 165.2 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.869 ' O ' HG23 ' A' ' 73' ' ' VAL . 71.9 p -116.8 160.67 35.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.368 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -15.59 20.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.3 p -82.74 -44.62 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.28 -47.63 55.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 69' ' ' THR . 69.7 t -48.96 -37.27 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.484 ' HG ' ' HE2' ' A' ' 58' ' ' PHE . 23.1 t -71.52 -39.58 70.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -65.15 -23.98 67.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -83.11 -37.9 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.501 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 5.8 t80 -66.81 -43.5 83.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -68.3 -24.81 64.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 16.4 mm-40 -79.73 -42.35 24.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' NE ' ' HD2' ' A' ' 42' ' ' ARG . 4.3 ttt180 -79.82 -68.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.57 -63.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.99 -46.72 33.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 42' ' ' ARG . 15.4 mtp-105 -66.99 -59.74 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.9 t -40.44 -46.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mt -51.15 -59.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 80' ' ' LEU . 72.3 mt -58.52 -48.36 81.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 m -53.52 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.15 -45.78 83.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.1 m -62.93 -20.4 65.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.294 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.0 tp60 -90.35 -63.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -59.94 4.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -73.51 -31.49 63.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.36 158.3 20.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.43 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -81.09 75.27 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -118.81 157.08 51.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.99 -11.37 21.49 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -86.05 -18.19 33.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.571 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.642 HG22 ' CD1' ' A' ' 61' ' ' ILE . 7.2 m -83.96 -38.01 21.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 6.6 m-30 -52.59 -24.72 8.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -74.54 -17.17 60.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 t -92.33 -53.13 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.642 ' CD1' HG22 ' A' ' 57' ' ' THR . 5.1 mt -59.2 -50.36 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.1 p -48.88 -39.38 25.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.028 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -78.21 -38.62 42.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.02 -30.47 71.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.758 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.8 mt -64.93 -52.18 57.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.68 -73.5 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -113.83 -11.84 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.758 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -52.73 160.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.759 ' O ' HG23 ' A' ' 73' ' ' VAL . 48.9 p -119.73 160.8 40.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -17.1 19.75 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.84 -23.53 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -91.0 -50.58 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 69' ' ' THR . 98.7 t -47.53 -34.43 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.549 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 28.8 t -66.64 -41.7 87.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -67.73 -23.17 65.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.582 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -78.58 -30.68 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.43 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 10.3 t80 -78.7 -51.77 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -25.31 65.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -78.56 -46.99 18.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.429 HD13 HD21 ' A' ' 45' ' ' LEU . 50.0 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 38' ' ' ARG . 1.9 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.45 ' N ' ' OG1' ' A' ' 37' ' ' THR . 2.6 ttm-85 -74.11 -56.63 4.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.648 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.1 tt0 -38.48 -61.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.29 -58.05 9.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -45.93 -36.84 5.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.4 -55.84 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.25 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 39' ' ' GLU . 88.7 t -45.3 -49.31 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.544 HG12 HG13 ' A' ' 73' ' ' VAL . 73.1 mt -46.13 -59.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 40.5 mt -59.87 -53.77 54.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.1 m -45.56 -59.72 2.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.3 mmm -65.32 -44.87 86.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ALA . 60.8 m -60.57 -17.08 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.1 tp60 -90.5 -63.64 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.56 -60.12 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -34.24 65.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.9 149.77 10.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.135 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.586 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.18 67.44 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.763 . . . . 0.0 109.342 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.509 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 1.2 pt20 -117.04 166.82 12.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.59 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.01 -44.09 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.407 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -54.98 -19.27 6.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.587 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -83.99 -45.46 13.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.59 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 10.7 m-30 -48.32 -26.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -63.98 -19.57 65.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.3 t -92.35 -56.77 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.46 HG21 HG12 ' A' ' 44' ' ' ILE . 12.4 mt -52.79 -47.8 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 p -48.03 -39.74 20.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -77.23 -42.02 38.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -59.52 -42.38 92.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.874 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.6 mt -51.2 -52.79 41.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.89 -62.76 0.57 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -132.11 19.47 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.874 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -86.78 147.16 25.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.6 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.0 p -95.19 163.35 22.02 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.53 20.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.19 -29.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.58 -44.14 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 69' ' ' THR . 88.8 t -51.94 -35.0 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.552 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 43.5 t -70.27 -51.16 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -55.99 -30.3 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -77.86 -38.65 45.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 6.4 t80 -68.58 -50.36 52.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -61.71 -24.59 66.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.4 mm-40 -78.11 -50.57 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -46.18 -62.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.813 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.2 mm-40 -39.45 -51.38 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.504 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -59.29 -43.98 92.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ARG . 13.5 m-20 -63.49 -39.4 94.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -71.26 -54.21 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 39' ' ' GLU . 69.1 t -40.52 -59.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.949 HG12 HG21 ' A' ' 61' ' ' ILE . 56.6 mt -46.17 -53.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 mt -52.52 -31.3 34.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' VAL . 89.8 m -81.78 -54.05 5.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.3 mmm -59.44 -53.4 58.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' ALA . 13.8 p -58.82 -18.18 30.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -90.18 -66.44 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.77 -60.07 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -73.24 -33.7 65.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 108.62 147.08 12.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -69.36 81.59 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.411 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -127.45 157.21 73.58 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.548 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -75.1 -11.72 21.31 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -85.7 -17.19 36.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -85.19 -42.37 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 5.7 m-30 -48.81 -22.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -68.75 -27.85 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -88.06 -48.3 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.949 HG21 HG12 ' A' ' 44' ' ' ILE . 30.3 mt -51.13 -46.89 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -44.33 56.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -72.4 -43.84 63.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.224 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -57.99 -35.1 70.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.783 HD12 ' HG2' ' A' ' 68' ' ' LYS . 1.5 mt -70.45 -50.92 33.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.46 -72.38 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.1 -13.17 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.783 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -47.62 152.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.55 ' O ' HG23 ' A' ' 73' ' ' VAL . 72.7 p -107.74 160.58 26.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.89 19.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.4 p -86.79 -39.0 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 75' ' ' HIS . 4.9 mm-40 -73.63 -47.43 40.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 69' ' ' THR . 10.3 t -44.39 -43.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.502 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 7.3 t -65.47 -39.89 92.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' GLU . 33.2 m170 -62.87 -26.59 68.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -80.55 -35.25 34.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.245 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.441 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 11.5 t80 -72.81 -49.54 29.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -63.15 -23.91 67.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 6.5 mm-40 -80.04 -48.08 13.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 77.8 p . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -56.79 -61.19 2.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.82 -59.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -54.34 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.68 -38.17 31.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -75.36 -55.72 5.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.511 HG12 HG23 ' A' ' 61' ' ' ILE . 23.1 t -40.71 -43.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.2 mt -55.39 -60.03 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 49' ' ' GLN . 62.5 mt -59.46 -55.1 38.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -45.02 -63.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.516 ' HB2' HD11 ' A' ' 61' ' ' ILE . 86.1 mmm -58.15 -44.25 87.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.411 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 10.2 m -61.18 -21.01 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 17.4 tt0 -90.48 -61.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.87 -60.0 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.416 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 6.9 mm100 -74.15 -29.65 61.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 106.4 154.07 20.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.477 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -79.33 72.21 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -118.29 157.37 49.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.539 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -74.98 -10.01 21.05 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -88.59 -15.01 36.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.5 m -89.24 -35.37 16.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.539 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 9.7 m-30 -52.76 -24.62 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -76.8 -17.1 59.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.21 -54.12 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 47' ' ' MET . 7.6 mt -56.93 -36.47 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -48.58 54.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -70.68 -39.82 73.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -55.29 -39.52 69.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.73 HD12 ' CG ' ' A' ' 68' ' ' LYS . 3.1 mt -59.29 -52.18 66.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.47 -51.44 0.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -147.02 19.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.787 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.73 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.26 153.39 28.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.493 ' OG1' HG12 ' A' ' 71' ' ' VAL . 11.1 p -106.48 162.73 18.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -16.85 19.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.493 HG12 ' OG1' ' A' ' 69' ' ' THR . 7.2 p -81.29 -25.23 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -91.43 -41.16 11.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.332 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.8 t -58.99 -30.7 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -73.14 -50.52 22.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.039 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 9.4 m170 -61.16 -27.5 68.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.567 ' NH2' HD21 ' A' ' 80' ' ' LEU . 5.4 tpt180 -79.7 -33.93 40.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.477 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 7.8 t80 -68.13 -49.08 63.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -68.05 -19.93 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 5.2 mm-40 -79.36 -50.47 10.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.567 HD21 ' NH2' ' A' ' 76' ' ' ARG . 77.4 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.21 167.92 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.95 -168.3 30.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -169.57 170.67 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 0.797 . . . . 0.0 109.957 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.71 160.89 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.55 113.76 0.52 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.36 159.86 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.78 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.53 167.77 30.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.61 170.81 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 3.3 mp 61.35 162.08 0.11 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.0 177.75 37.71 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.965 -2.514 . . . . 0.0 111.023 -0.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.78 169.38 10.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.76 149.05 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.12 170.53 8.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.75 170.3 10.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.36 174.05 6.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -122.64 144.41 49.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.5 p -103.26 149.07 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -106.65 141.77 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 108.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.2 175.42 4.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -116.54 165.23 13.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.84 154.43 41.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 88.2 p -52.74 150.19 5.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.7 p -46.2 127.06 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.28 117.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.35 81.81 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 t -146.05 157.9 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.22 -102.73 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 62.9 115.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -167.99 122.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.22 121.67 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 35' ' ' LEU . 7.7 p -159.86 -51.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' N ' HG13 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -152.62 -71.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 15.3 m95 -71.99 126.58 30.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 108.003 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -85.69 144.05 28.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' ASP . 3.6 tpt180 -46.82 -62.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -39.34 -55.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.72 62.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.9 m-20 -69.09 -37.24 78.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -66.36 -55.92 13.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.3 t -42.66 -45.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.561 HG12 HG13 ' A' ' 73' ' ' VAL . 48.9 mt -48.3 -61.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' GLN . 47.3 mt -55.91 -49.15 74.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.0 m -51.09 -61.96 1.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.471 ' HB2' HD11 ' A' ' 61' ' ' ILE . 97.4 mmm -61.13 -50.77 71.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ALA . 58.0 m -59.46 -17.67 33.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LEU . 33.9 tt0 -90.5 -62.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.65 -59.99 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -33.72 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.513 ' O ' HG21 ' A' ' 57' ' ' THR . . . 111.7 146.25 10.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.586 1.179 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -74.92 58.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.459 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -83.97 169.35 17.33 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.95 -48.13 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -36.33 76.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.513 HG21 ' O ' ' A' ' 52' ' ' GLY . 1.3 m -45.71 -43.72 13.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -51.82 -20.18 2.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -74.46 -16.37 60.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.436 ' CG1' ' HE2' ' A' ' 47' ' ' MET . 20.3 t -84.8 -63.67 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.621 ' CG2' HD21 ' A' ' 65' ' ' LEU . 4.0 mt -48.61 -51.42 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -40.25 -40.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -79.64 -40.05 30.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' ILE . 12.5 mm100 -59.36 -40.56 86.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.621 HD21 ' CG2' ' A' ' 61' ' ' ILE . 6.2 mt -54.46 -54.13 44.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.2 -64.17 0.34 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -141.51 19.1 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.568 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 0.4 OUTLIER -69.85 179.78 2.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.3 p -129.24 160.26 64.88 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -16.72 20.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.9 p -83.8 -30.29 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -86.52 -46.46 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.561 HG13 HG12 ' A' ' 44' ' ' ILE . 10.7 t -49.39 -41.21 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 t -69.86 -44.22 70.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.033 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -33.51 66.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -78.12 -44.6 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.654 ' HA ' HD12 ' A' ' 80' ' ' LEU . 10.6 t80 -61.5 -48.01 83.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -24.9 67.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -83.04 -41.04 19.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 77' ' ' PHE . 36.7 mt -40.99 -70.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.525 ' HE2' ' O ' ' A' ' 77' ' ' PHE . 2.3 mpp? -48.97 -39.24 25.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -42.01 98.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.81 -60.71 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.098 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -45.92 -51.49 13.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -65.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.597 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 22.6 m -54.6 -58.87 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . 69.26 -76.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.47 71.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 108.268 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.8 81.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.34 116.39 16.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.39 82.51 1.6 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.81 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.513 1.796 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.02 164.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -99.38 -59.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.43 4.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 p -164.66 168.96 17.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.02 179.84 38.7 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.04 169.72 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -175.72 170.63 2.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.67 148.27 5.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.02 175.58 2.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.95 156.01 11.68 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.51 79.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -160.76 161.67 24.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.557 ' HA ' HD23 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 135.14 39.11 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.026 -0.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.02 65.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -175.5 126.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.36 88.34 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -174.72 -59.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 110.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 62.15 60.57 1.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.3 p -134.43 132.64 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.6 t -85.88 109.36 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 m -94.8 104.93 16.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.284 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.87 78.39 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -87.93 153.01 21.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -84.97 99.81 11.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m 56.67 166.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.966 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.19 55.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.1 t -115.34 144.42 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.2 p -127.08 154.6 44.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t 174.43 137.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 m 61.18 153.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.98 -132.88 1.65 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.17 167.64 29.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.98 106.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 33' ' ' VAL . 6.0 p -107.82 107.38 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 34' ' ' VAL . 14.7 p -145.04 53.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.75 -53.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.554 ' CZ2' ' HD3' ' A' ' 68' ' ' LYS . 15.4 m95 -90.88 131.29 36.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 108.009 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.499 HG23 ' H ' ' A' ' 40' ' ' ALA . 10.0 t -100.95 148.82 24.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -40.63 -63.47 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' ARG . 3.5 mm-40 -37.67 -58.73 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.499 ' H ' HG23 ' A' ' 37' ' ' THR . . . -49.56 -45.06 47.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.5 m-20 -66.66 -37.24 84.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 42' ' ' ARG . 5.4 mmm180 -67.47 -58.92 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -43.29 -40.37 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.453 HG12 HG21 ' A' ' 61' ' ' ILE . 3.9 mt -56.27 -58.32 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.728 HD21 HD13 ' A' ' 80' ' ' LEU . 35.7 mt -60.44 -55.92 27.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -48.07 -57.51 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 80.2 mmm -63.16 -46.4 87.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.402 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 64.2 m -61.49 -17.2 53.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 45' ' ' LEU . 31.7 tt0 -90.57 -64.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.24 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.04 -60.14 4.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -33.79 64.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 110.36 160.34 17.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.489 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -83.21 75.19 9.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 0.809 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.51 157.44 56.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.557 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.03 -8.1 19.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.58 -22.44 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.605 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.525 HG22 ' CD1' ' A' ' 61' ' ' ILE . 2.1 m -79.83 -40.1 29.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.432 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 7.1 m-30 -50.6 -29.69 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -67.4 -18.91 65.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 t -91.37 -55.16 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.525 ' CD1' HG22 ' A' ' 57' ' ' THR . 7.5 mt -56.81 -46.31 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 t -45.76 -35.84 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -85.09 -41.57 15.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -56.45 -34.68 67.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.818 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.6 mt -58.54 -50.61 73.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.38 -57.27 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -140.44 15.89 2.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.818 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.0 159.17 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.7 p -106.54 163.11 17.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.01 20.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 72' ' ' GLU . 9.0 p -83.7 -49.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.469 ' N ' HG13 ' A' ' 71' ' ' VAL . 8.5 mm-40 -58.41 -54.49 46.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 69' ' ' THR . 93.7 t -42.23 -50.23 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.557 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 17.6 t -59.18 -43.38 92.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -62.94 -31.84 73.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.626 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -77.39 -40.14 44.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.489 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 10.5 t80 -63.36 -49.18 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -24.5 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -79.64 -40.6 28.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.728 HD13 HD21 ' A' ' 45' ' ' LEU . 29.0 mt -43.91 -70.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.481 ' CE ' ' O ' ' A' ' 77' ' ' PHE . 2.3 mpp? -49.9 -40.35 42.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -60.83 -47.47 86.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.626 ' C ' HD12 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -69.04 -38.62 79.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -64.47 -46.99 80.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.61 -64.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.636 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.8 m -89.64 121.74 32.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -155.62 115.24 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.76 112.35 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 108.315 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.55 105.16 15.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -145.73 -62.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.96 158.82 27.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.86 42.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -133.7 109.65 9.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.12 149.31 42.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -48.83 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.528 1.804 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.2 174.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.64 -177.62 43.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 p -159.17 151.65 21.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.67 159.62 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.89 -154.23 9.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.93 163.97 31.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.83 156.06 20.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.86 -59.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 1.2 mp -63.84 162.03 32.62 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.01 170.03 72.96 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.985 0.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -120.03 96.6 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.68 100.36 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.95 116.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -115.98 134.09 55.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -162.16 113.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -123.24 146.89 47.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.5 p -85.73 62.84 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.05 150.73 45.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 108.267 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.85 147.81 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -52.76 -55.59 21.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -169.07 -55.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.6 p -166.95 121.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.22 138.77 52.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.4 t -93.92 112.45 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.0 t -100.71 156.83 17.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.6 p -104.47 132.65 50.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.07 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 t -131.25 143.22 50.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.62 -116.89 1.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 68.24 142.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 110.293 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -45.45 163.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 33' ' ' VAL . 12.2 p -159.16 107.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 34' ' ' VAL . 7.4 p -148.65 51.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.18 -64.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.549 ' CZ2' ' HD3' ' A' ' 68' ' ' LYS . 22.7 m95 -86.48 166.22 15.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t -128.46 176.19 7.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -74.65 -62.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.88 -65.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.13 -47.94 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.79 -43.69 77.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -69.61 -54.53 13.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.86 -55.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.879 HG12 HG21 ' A' ' 61' ' ' ILE . 18.1 mt -41.41 -57.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 49' ' ' GLN . 34.1 mt -59.13 -54.18 49.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.8 m -46.38 -60.83 2.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 59.7 mtp -63.13 -44.22 96.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.5 m -59.68 -20.74 58.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 45' ' ' LEU . 35.4 tp60 -89.44 -64.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.01 -60.04 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -71.11 -32.06 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.19 149.33 15.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.421 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -75.19 74.24 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -122.32 157.26 59.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.512 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.98 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.47 -15.06 25.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -88.63 -39.82 13.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 5.4 m-30 -50.26 -29.45 9.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.0 t -65.44 -18.34 65.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.3 t -92.34 -51.25 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.879 HG21 HG12 ' A' ' 44' ' ' ILE . 8.8 mt -56.0 -49.4 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.82 -48.65 20.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -68.83 -36.85 78.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -67.67 -30.77 70.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.841 HD12 ' HG2' ' A' ' 68' ' ' LYS . 3.8 mt -69.34 -52.9 22.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.65 -77.64 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -108.44 -13.75 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.841 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -48.71 156.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 73' ' ' VAL . 74.6 p -110.42 160.48 28.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -16.54 19.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.7 p -87.06 -38.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.38 -47.24 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 69' ' ' THR . 18.2 t -46.1 -38.6 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.567 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 22.5 t -69.13 -43.52 74.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -61.38 -33.56 73.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -76.8 -36.62 56.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.602 ' O ' ' HE3' ' A' ' 81' ' ' MET . 7.9 t80 -57.15 -48.23 79.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.87 -24.86 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 82' ' ' GLN . 38.7 mt-10 -75.2 -47.84 26.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 77' ' ' PHE . 29.3 mt -44.49 -32.7 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.602 ' HE3' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -92.19 -28.23 17.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -68.81 -30.98 69.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 90.7 mt -71.28 -59.35 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -45.97 -53.81 9.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -46.46 -60.48 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.572 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.7 m -133.7 96.54 3.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.424 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.38 176.22 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.2 m -122.87 102.11 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 108.284 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -62.95 171.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.87 112.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 161.99 72.18 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.79 42.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.1 m -134.69 142.14 46.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.0 m -56.43 126.28 25.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 179.1 6.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.37 172.76 12.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.01 -164.73 10.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.18 166.25 33.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 110.033 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 p -137.46 166.93 22.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.972 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.92 -178.21 15.23 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.73 142.07 19.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 0.786 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.04 -177.6 15.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.34 158.58 3.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER 61.85 162.1 0.11 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.53 ' HA ' HD23 ' A' ' 11' ' ' LEU . 18.0 Cg_endo -75.05 -176.39 18.0 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.97 0.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 119.1 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.84 132.3 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.0 p -156.93 147.0 20.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.41 166.76 22.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.9 111.24 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p -88.27 118.95 28.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.4 t -132.27 108.51 13.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.9 p -179.62 164.58 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.075 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.93 109.32 2.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -177.56 133.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -179.44 164.31 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t -176.17 164.93 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.77 108.13 1.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -135.59 93.44 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.0 p -175.46 123.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.425 ' C ' HG22 ' A' ' 29' ' ' THR . 52.7 p -177.25 139.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.425 HG22 ' C ' ' A' ' 28' ' ' SER . 5.2 t 42.34 48.7 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.365 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -48.93 176.94 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -119.87 149.75 41.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt 59.44 78.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.2 p -140.68 127.08 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 p -178.28 -45.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.24 -55.62 17.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.642 ' CZ3' HD11 ' A' ' 65' ' ' LEU . 6.9 m95 -89.83 152.47 21.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.03 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -88.89 136.88 32.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -45.7 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.26 -52.06 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.18 85.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ARG . 59.6 m-20 -63.72 -47.92 79.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 42' ' ' ARG . 12.3 mtp-105 -60.66 -45.7 93.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.9 t -45.4 -50.43 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.555 HG12 HG21 ' A' ' 61' ' ' ILE . 77.6 mt -55.07 -55.9 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 mt -50.47 -29.49 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.1 m -82.6 -55.63 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.384 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.426 ' HE2' HG12 ' A' ' 60' ' ' VAL . 88.7 mmm -60.05 -56.23 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.419 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 13.7 p -54.15 -21.6 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -87.85 -64.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -60.05 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.483 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 0.3 OUTLIER -71.58 -32.02 67.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 105.6 145.95 13.87 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -68.36 76.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 0.806 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -122.53 157.29 59.6 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.1 Cg_endo -75.07 -3.84 14.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.19 -15.42 25.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.585 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.648 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.4 m -88.98 -36.37 15.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.442 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 8.8 m-30 -53.34 -26.09 17.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -77.62 -16.89 58.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.426 HG12 ' HE2' ' A' ' 47' ' ' MET . 15.9 t -88.28 -56.29 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.648 ' CD1' HG22 ' A' ' 57' ' ' THR . 4.1 mt -51.63 -40.31 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -46.25 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -71.74 -31.08 66.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -67.59 -46.16 73.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.701 HD12 ' HG2' ' A' ' 68' ' ' LYS . 3.7 mt -54.72 -48.98 71.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.76 -57.89 0.57 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -141.55 16.37 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.701 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -75.24 149.58 38.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.74 ' O ' HG23 ' A' ' 73' ' ' VAL . 3.0 p -101.03 162.03 21.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.83 19.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.94 -24.69 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -91.07 -46.32 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 69' ' ' THR . 88.6 t -52.96 -35.75 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.585 ' OG ' ' CE2' ' A' ' 58' ' ' PHE . 1.9 t -71.72 -43.34 66.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 66.5 m170 -66.39 -28.38 68.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.573 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.522 ' HD3' ' CG ' ' A' ' 36' ' ' TRP . 24.3 tpt180 -76.25 -36.32 58.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.9 -53.22 42.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -63.71 -21.68 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 4.1 mm-40 -76.0 -52.08 10.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.248 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 mt -43.92 -56.36 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -32.69 73.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -40.55 85.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.606 ' C ' HD12 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -67.79 -40.31 83.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -53.07 -57.58 9.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -62.7 -61.43 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.564 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.9 m -101.57 77.76 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.38 174.49 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 53.13 79.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 108.299 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -134.36 93.55 3.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.08 105.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -105.93 157.41 16.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.118 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.91 4.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.58 129.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 m -64.92 95.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.87 5.42 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 179.9 167.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.36 -127.26 1.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.82 155.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 0.74 . . . . 0.0 109.964 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.72 170.59 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.87 -166.26 12.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.39 175.83 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 0.735 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.97 152.49 6.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.93 150.87 1.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 0.792 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.792 HD12 ' CA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER 75.28 159.16 0.16 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.792 ' CA ' HD12 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.97 169.76 73.66 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.023 -0.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.6 156.03 38.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -179.34 135.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.51 147.71 42.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.019 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -112.89 72.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.67 165.01 4.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.485 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.7 t -62.03 122.32 15.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 18' ' ' THR . 27.1 m -155.9 174.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.8 t -125.22 82.23 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 108.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.94 72.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 176.78 119.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.54 99.47 10.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.9 t -164.77 81.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.36 -61.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.523 HG21 HD11 ' A' ' 83' ' ' LEU . 9.6 p -153.3 113.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -60.29 -53.71 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.0 m -51.47 166.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.019 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -133.04 148.03 52.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -39.41 112.41 0.25 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -42.36 -57.69 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 0.799 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.12 126.39 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.35 133.7 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 p -174.58 -49.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mt -84.67 -46.19 11.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.458 ' CZ2' ' HD3' ' A' ' 68' ' ' LYS . 17.0 m95 -105.55 156.36 18.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 108.031 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 71.5 p -122.14 -166.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -87.2 -62.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -39.01 -50.69 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.92 86.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' ARG . 6.7 t0 -62.63 -44.09 97.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 15.0 mtp-105 -62.65 -53.41 54.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 t -42.05 -50.01 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.785 ' CG1' HG21 ' A' ' 61' ' ' ILE . 62.4 mt -57.98 -54.83 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.438 HD21 HD13 ' A' ' 80' ' ' LEU . 36.3 mt -52.73 -25.64 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 m -85.98 -52.36 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.35 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.438 ' CE ' ' CG1' ' A' ' 60' ' ' VAL . 71.6 mmm -63.99 -55.59 21.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.415 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 14.0 p -53.75 -21.91 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -86.87 -64.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -60.08 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.4 -33.13 71.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 107.78 148.13 13.86 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.2 78.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -126.43 157.33 70.87 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.552 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.5 Cg_endo -74.92 -2.71 12.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.59 -16.38 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.565 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.675 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.2 m -87.59 -38.84 15.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 5.8 m-30 -51.56 -30.05 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 t -71.49 -17.24 62.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.438 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 15.5 t -92.28 -49.35 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.785 HG21 ' CG1' ' A' ' 44' ' ' ILE . 6.8 mt -59.22 -41.81 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -46.92 53.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.055 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -70.84 -35.33 72.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -63.3 -44.71 94.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.755 HD12 ' HG2' ' A' ' 68' ' ' LYS . 3.5 mt -54.05 -49.22 69.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.1 -56.87 0.56 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -146.11 19.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.755 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -75.4 154.49 37.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.9 p -97.1 157.63 34.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.4 20.85 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.87 -44.45 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.78 -44.56 73.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 44' ' ' ILE . 6.2 t -49.3 -42.19 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.546 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 7.5 t -70.51 -47.91 58.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.039 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -56.39 -27.24 55.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.645 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -76.43 -36.93 57.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.714 ' O ' ' HE3' ' A' ' 81' ' ' MET . 6.0 t80 -66.71 -53.4 33.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -57.44 -22.04 40.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 82' ' ' GLN . 16.7 mm-40 -82.77 -51.04 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 84' ' ' PHE . 33.7 mt -44.22 -34.86 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.714 ' HE3' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -87.08 -30.58 21.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.8 OUTLIER -62.25 -42.01 98.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.612 ' C ' HD12 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -68.31 -47.65 67.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 4.6 m-85 -54.32 -51.89 63.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -61.27 2.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.628 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.1 m -42.49 -64.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 60.5 66.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.5 m -137.55 122.34 18.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 108.286 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.95 150.5 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.0 p -83.41 169.04 15.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.19 -173.59 16.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 179.42 6.08 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 0.0 111.075 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.8 m -100.33 -58.62 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.066 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.1 t -157.08 127.01 6.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.968 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 177.53 8.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.16 170.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.89 169.18 42.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.16 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.66 169.85 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p 178.24 160.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.95 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.44 149.42 8.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.43 142.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.74 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.61 150.37 11.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.89 86.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.509 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -163.08 160.7 18.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 -42.71 0.79 Allowed 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.007 0.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 172.89 -58.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.18 157.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -152.12 170.77 19.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -93.36 166.77 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.2 132.48 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 p -126.32 136.03 52.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.8 m -150.73 169.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 66.36 160.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.08 162.69 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.75 158.4 25.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -95.27 167.09 11.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.2 m -71.49 161.5 30.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.62 157.44 38.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.5 m -120.2 168.34 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.34 137.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.963 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.86 84.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 m -102.09 110.88 22.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.53 137.38 6.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.13 107.72 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.369 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -172.43 112.23 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.9 p -133.37 132.41 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -164.16 -44.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.428 ' N ' ' CG1' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -131.13 -48.77 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.738 ' CZ3' HD11 ' A' ' 65' ' ' LEU . 22.7 m95 -79.94 165.75 22.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.034 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 p -124.43 142.42 51.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 41' ' ' ASP . 19.0 tpp85 -39.93 -65.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.875 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.1 mt-10 -39.93 -49.18 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.54 97.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.556 ' OD2' HD21 ' A' ' 80' ' ' LEU . 5.4 t0 -60.1 -51.51 69.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -63.31 -42.61 99.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 39' ' ' GLU . 18.9 t -47.59 -61.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.916 HG12 HG21 ' A' ' 61' ' ' ILE . 97.1 mt -45.43 -52.33 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.7 mt -53.63 -34.34 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' VAL . 56.3 m -78.14 -52.55 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.536 ' HE2' ' HG3' ' A' ' 51' ' ' GLN . 1.4 mtp -60.69 -57.31 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' ALA . 13.8 p -55.77 -20.35 14.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -86.69 -63.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 -60.06 3.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.536 ' HG3' ' HE2' ' A' ' 47' ' ' MET . 11.6 mm100 -70.04 -32.79 71.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.778 ' O ' HG21 ' A' ' 57' ' ' THR . . . 109.82 148.11 12.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -79.23 55.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.463 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -85.78 169.15 16.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.97 -40.85 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -75.7 -38.33 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.601 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.778 HG21 ' O ' ' A' ' 52' ' ' GLY . 1.2 m -44.73 -43.68 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 17.3 m-30 -50.46 -24.82 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.9 t -69.24 -17.71 63.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.5 t -83.53 -59.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.916 HG21 HG12 ' A' ' 44' ' ' ILE . 9.8 mt -51.37 -42.37 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -40.44 31.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -76.02 -37.61 58.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -62.77 -41.21 99.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.738 HD11 ' CZ3' ' A' ' 36' ' ' TRP . 2.9 mt -55.68 -50.85 69.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.84 -57.25 0.59 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -141.79 17.79 2.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.723 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.91 148.48 31.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 p -99.14 163.22 19.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.365 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.85 18.46 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.7 p -78.5 -29.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.57 -41.26 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.652 HG22 ' HH2' ' A' ' 36' ' ' TRP . 41.8 t -60.52 -33.1 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.57 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 17.3 t -75.54 -16.34 60.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -91.46 -24.85 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.599 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -83.18 -32.82 26.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -72.2 -46.87 54.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -25.54 68.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.42 -48.21 15.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 83' ' ' LEU . 74.9 mt -52.12 -56.32 15.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.555 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.2 mmt -62.27 -12.63 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.981 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -51.61 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 80' ' ' LEU . 2.1 mt -45.35 -62.53 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 33.7 m-85 -50.54 -51.63 46.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.25 -64.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.587 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.5 p -60.08 -55.2 36.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 84' ' ' PHE . . . 60.08 107.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.2 t -158.33 -62.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 108.292 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 63.1 157.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 t 58.16 74.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.39 -145.88 19.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.117 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -48.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.57 136.01 52.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.981 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.1 m -167.92 172.55 8.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -57.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.25 158.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.15 134.43 1.66 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -166.1 113.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.0 159.24 42.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.59 155.52 8.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.44 176.32 7.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.73 158.24 8.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' LEU . . . -163.82 -62.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.739 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.518 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -40.47 159.54 0.14 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.03 -177.2 19.84 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.979 0.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -166.48 143.89 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -176.39 153.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.89 159.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -175.25 150.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -165.33 155.37 13.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 m -150.11 108.32 3.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -149.97 142.74 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.8 p -132.62 156.23 47.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 108.286 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.83 153.78 33.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 172.19 128.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -164.79 143.03 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.3 t -141.2 148.96 40.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.045 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -145.14 156.97 44.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.4 m -52.15 136.87 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.7 p -111.98 165.7 11.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m 58.55 171.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.3 m 53.83 101.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.417 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.11 -128.08 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -104.25 116.16 31.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.39 128.86 34.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.0 t 57.93 107.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -165.98 -43.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.38 -60.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.787 ' HZ3' HD11 ' A' ' 44' ' ' ILE . 11.9 m95 -94.91 159.0 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 107.992 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.7 p -95.13 -178.33 4.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -64.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.863 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -42.32 -51.12 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.56 96.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -44.08 93.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -69.31 -50.68 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 39' ' ' GLU . 54.3 t -42.99 -45.0 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.787 HD11 ' HZ3' ' A' ' 36' ' ' TRP . 85.5 mt -54.03 -59.15 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 49' ' ' GLN . 47.5 mt -59.86 -47.25 86.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -53.72 -58.28 7.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.696 ' CE ' HG11 ' A' ' 60' ' ' VAL . 27.2 mmm -61.69 -50.51 72.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . 86.9 m -63.43 -14.68 53.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 34.7 tp60 -90.58 -64.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -60.15 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.468 ' HG3' ' CE ' ' A' ' 47' ' ' MET . 9.5 mm100 -73.49 -33.61 64.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' HG21 ' A' ' 57' ' ' THR . . . 112.53 149.77 10.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -76.0 57.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.404 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -82.29 169.3 18.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.97 -49.66 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -36.22 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.611 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.548 HG21 ' O ' ' A' ' 52' ' ' GLY . 1.3 m -45.28 -44.43 11.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 22.2 m-85 -50.73 -21.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -70.85 -16.38 62.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.696 HG11 ' CE ' ' A' ' 47' ' ' MET . 21.5 t -81.77 -72.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.491 HG21 ' CG1' ' A' ' 44' ' ' ILE . 2.5 mt -42.19 -47.38 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -42.4 -49.5 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -70.67 -38.86 73.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -57.55 -43.31 84.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.611 HD12 ' CG ' ' A' ' 68' ' ' LYS . 5.3 mt -57.07 -52.51 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.44 -71.78 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.83 5.44 8.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.611 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -62.76 162.36 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.3 p -115.14 163.02 21.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.57 20.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.8 p -80.1 -34.93 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.96 -42.63 19.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.672 HG13 HG12 ' A' ' 44' ' ' ILE . 44.5 t -53.24 -40.32 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.522 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 36.2 t -68.24 -37.29 80.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -65.62 -32.45 74.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.42 ' HD3' ' CD2' ' A' ' 36' ' ' TRP . 19.5 tpt180 -78.46 -30.07 47.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.437 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 10.2 t80 -75.16 -44.16 48.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.939 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.21 -24.63 65.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.2 mm-40 -80.0 -43.72 21.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.4 mt -55.18 -56.28 21.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.549 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.4 mmt -62.75 -12.57 24.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.87 -59.43 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 8.3 mt -40.6 -60.93 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 85' ' ' HIS . 26.6 m-85 -48.45 -54.49 13.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -40.19 -65.16 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.617 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.1 p -132.68 112.94 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 83' ' ' LEU . . . -139.73 -75.25 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 68.51 80.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.272 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.93 115.31 29.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.9 p -138.2 108.43 6.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.961 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -147.89 96.39 0.17 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.35 27.25 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.446 1.761 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -135.13 150.54 50.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 m -176.98 93.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.951 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -179.05 4.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.05 168.66 19.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.41 -172.46 17.67 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.89 111.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.772 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 p -96.44 171.78 8.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.012 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.15 -152.08 7.55 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.66 170.21 16.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 0.779 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.36 -166.15 27.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.34 170.25 20.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 109.273 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.524 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER 65.87 162.11 0.13 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.98 143.7 78.62 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.977 -0.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -72.19 166.25 22.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.04 175.75 10.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.1 p -53.65 157.64 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -81.61 170.22 16.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -165.19 164.17 20.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.69 HG22 HG23 ' A' ' 19' ' ' VAL . 17.1 m 61.68 157.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.69 HG23 HG22 ' A' ' 18' ' ' THR . 54.1 t 63.28 152.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 70.05 -67.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . -92.61 78.12 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -123.71 -55.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -68.08 132.62 47.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.16 134.76 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.988 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 143.96 13.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.1 p -82.63 118.79 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.77 -58.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.016 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -76.79 163.22 27.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.451 HG23 ' O ' ' A' ' 29' ' ' THR . 8.9 t -115.76 114.47 24.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.424 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.46 61.87 3.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -167.35 143.23 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -123.82 161.28 25.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 36' ' ' TRP . 8.6 p -141.56 137.13 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 35' ' ' LEU . 7.3 p -173.03 -47.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' N ' HG13 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -87.0 -65.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.566 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 24.1 m95 -103.54 164.11 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 108.014 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.5 t -117.34 143.46 45.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.9 tpt180 -39.39 -63.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.868 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -39.43 -54.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.3 96.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -61.12 -48.22 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -68.14 -51.95 40.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 39' ' ' GLU . 55.1 t -40.51 -43.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.487 HD11 ' CZ3' ' A' ' 36' ' ' TRP . 73.0 mt -55.9 -63.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 55.5 mt -56.19 -43.97 78.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -52.34 -66.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.441 ' HE3' HG13 ' A' ' 60' ' ' VAL . 14.4 mmm -61.9 -41.95 98.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.408 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 95.9 m -63.26 -20.66 65.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 12.3 tp60 -88.89 -63.24 1.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -59.73 4.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -72.46 -30.29 64.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 106.09 157.43 21.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -81.24 81.3 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.97 157.21 72.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.473 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -75.06 -10.75 21.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.568 1.825 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -86.84 -15.14 40.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.578 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.8 m -87.06 -42.76 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 8.7 m-30 -47.9 -23.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -67.2 -29.71 69.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.946 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -86.82 -48.6 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.491 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 21.6 mt -51.09 -56.38 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.4 t -40.49 -50.08 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -50.1 62.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -53.74 -33.2 54.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.529 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.7 mt -60.64 -49.54 77.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.79 -60.9 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -144.08 17.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.566 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -71.04 -176.55 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.9 p -128.19 160.47 61.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -15.85 20.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.1 p -82.43 -45.45 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 75' ' ' HIS . 4.2 mm-40 -64.88 -50.0 68.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 69' ' ' THR . 38.2 t -44.05 -36.68 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -72.84 -42.28 63.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' GLU . 59.1 m170 -66.77 -31.08 71.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.491 ' HD3' ' CE2' ' A' ' 36' ' ' TRP . 20.4 tpt180 -77.88 -35.56 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.507 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 9.9 t80 -68.4 -51.45 43.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -24.43 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.46 -49.22 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt -51.99 -54.43 29.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.553 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.5 mmt -61.97 -12.6 19.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -50.71 6.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.649 ' C ' HD12 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -50.97 -36.53 39.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.09 -52.18 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -58.02 -62.02 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.563 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.0 m -47.43 -59.43 3.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.388 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 58.81 98.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.0 p -163.19 147.99 11.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.281 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 58.5 95.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 p -164.63 125.81 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -95.23 -85.16 1.68 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.95 39.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.81 79.41 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.6 m 46.94 84.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.34 7.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 p -117.18 170.54 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.49 156.8 25.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.2 165.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.986 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.67 162.76 21.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.44 -147.72 4.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.165 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.6 129.05 13.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.95 -91.82 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 111.061 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.0 150.65 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER 70.1 154.55 0.15 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.01 173.31 58.56 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.011 -0.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -60.8 158.16 13.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.44 175.0 7.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 p -159.17 161.86 36.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -154.03 170.34 21.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.74 171.97 10.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.92 126.58 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.9 t -127.31 77.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.1 t -49.41 127.51 15.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 108.288 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.65 78.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -73.9 156.16 37.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.48 148.49 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.16 129.38 23.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.74 171.94 11.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -117.85 147.96 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.3 p -154.91 124.17 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.015 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 t -170.16 128.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 t -155.59 59.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 110.423 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.83 159.24 8.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -134.79 155.99 49.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.41 135.61 11.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.4 p -133.68 144.46 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.6 p -178.04 -47.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.06 -76.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.565 ' CD1' ' HD3' ' A' ' 76' ' ' ARG . 69.0 m95 -78.45 159.13 28.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 108.008 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.7 t -124.52 160.08 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.43 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.5 tpt180 -47.12 -62.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' ARG . 25.4 tt0 -37.91 -71.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.81 42.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.01 -42.69 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -74.58 -55.11 6.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 51.2 t -40.47 -47.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.445 HG12 HG21 ' A' ' 61' ' ' ILE . 7.3 mt -52.01 -60.7 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 37.3 mt -58.4 -47.11 84.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 m -52.4 -63.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 86.1 mmm -60.98 -44.67 97.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 94.2 m -63.51 -18.89 64.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.9 tp60 -89.86 -63.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -60.01 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -72.9 -31.13 64.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' CYS . . . 107.5 152.49 17.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.92 77.74 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.76 157.2 63.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.645 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.03 -6.81 18.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -90.87 -15.24 30.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.564 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.543 HG22 ' CD1' ' A' ' 61' ' ' ILE . 2.4 m -87.83 -40.03 14.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.645 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 7.3 m-30 -49.78 -30.76 10.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.4 t -64.8 -19.26 65.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.5 t -92.3 -50.47 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.543 ' CD1' HG22 ' A' ' 57' ' ' THR . 6.8 mt -61.46 -40.29 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.6 p -53.32 -36.16 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -81.61 -39.17 24.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.24 -39.59 87.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.798 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.0 mt -55.97 -50.43 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.24 -60.31 0.61 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -135.75 15.89 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 0.727 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.798 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -80.41 143.24 33.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.8 p -89.46 161.29 40.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.451 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -16.18 20.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.4 p -81.88 -30.19 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.439 ' CB ' ' HE2' ' A' ' 68' ' ' LYS . 5.0 mm-40 -77.54 -47.26 19.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.4 t -46.59 -35.97 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.508 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 5.1 t -76.98 -45.48 27.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 -61.88 -35.13 77.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.565 ' HD3' ' CD1' ' A' ' 36' ' ' TRP . 25.8 tpt180 -74.89 -42.86 57.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.821 ' O ' ' HE3' ' A' ' 81' ' ' MET . 7.7 t80 -57.48 -52.39 65.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -61.6 -20.82 63.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.3 mm-40 -84.09 -39.4 19.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 84' ' ' PHE . 64.4 mt -51.08 -30.34 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.821 ' HE3' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -89.08 -31.17 18.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -73.45 -38.75 65.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 15.8 mt -60.92 -52.95 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 6.9 m-85 -47.28 -56.75 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.48 -62.94 1.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.412 1.07 . . . . 0.0 109.634 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.1 m -144.38 116.34 8.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 83' ' ' LEU . . . -137.13 -61.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 52.25 85.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -108.29 111.54 23.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.5 m -127.47 89.27 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -39.82 99.94 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 56.89 4.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.93 109.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.981 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 p -69.21 133.62 48.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.43 38.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.42 171.17 14.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.33 -177.99 38.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.8 -57.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m 63.13 146.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.66 -179.83 18.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.58 102.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.99 138.26 13.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.595 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -150.49 -53.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.604 HD23 ' N ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -101.65 160.99 24.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.01 178.87 32.78 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.957 -2.518 . . . . 0.0 111.021 -0.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -102.27 168.14 9.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.03 159.09 42.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.6 p -113.38 159.23 19.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.45 133.9 52.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.77 166.04 10.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.8 m 62.17 138.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.11 -44.97 99.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 45.27 68.44 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.364 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.57 138.48 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 59.69 168.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.589 ' O ' HG13 ' A' ' 26' ' ' VAL . 1.7 t-20 57.66 106.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.2 m -54.78 -58.52 7.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.3 105.16 15.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 23' ' ' ASN . 15.5 m -112.72 150.45 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.47 89.23 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.7 p -118.16 118.14 31.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.055 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.1 m -93.52 69.75 4.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.449 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.93 -134.8 5.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -127.65 61.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.69 43.81 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.405 HG13 HG23 ' A' ' 34' ' ' VAL . 9.6 p -130.28 147.1 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.405 HG23 HG13 ' A' ' 33' ' ' VAL . 10.0 t 72.2 -60.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mt -40.63 -50.73 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -116.66 131.51 56.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 107.996 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 t -101.87 153.06 20.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.404 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -43.73 -60.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' ARG . 11.4 mt-10 -38.73 -64.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.04 -42.43 18.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 38' ' ' ARG . 5.7 m-20 -65.31 -47.7 75.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' VAL . 4.7 mmp_? -62.58 -57.11 12.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.5 t -40.48 -54.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.807 HG12 HG21 ' A' ' 61' ' ' ILE . 7.5 mt -45.46 -62.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.834 HD21 HD13 ' A' ' 80' ' ' LEU . 44.5 mt -57.13 -51.86 67.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.4 m -48.21 -65.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' GLN . 7.0 mmm -58.66 -53.04 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . 89.8 m -54.77 -21.07 9.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.6 tp-100 -90.54 -61.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -58.85 5.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' MET . 1.5 mt-30 -73.71 -31.28 63.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.556 ' O ' HG21 ' A' ' 57' ' ' THR . . . 107.71 145.02 11.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.49 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -75.77 57.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.452 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -83.4 168.98 18.96 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.452 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.96 -41.85 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -75.09 -37.6 61.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.579 ' O ' HG12 ' A' ' 60' ' ' VAL . 1.9 m -44.45 -45.67 9.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.369 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.407 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 22.4 m-85 -48.45 -22.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -68.85 -26.93 65.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 57' ' ' THR . 0.8 OUTLIER -79.95 -37.64 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.807 HG21 HG12 ' A' ' 44' ' ' ILE . 50.2 mt -71.11 -50.79 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.409 ' CB ' ' C ' ' A' ' 69' ' ' THR . 90.4 p -49.77 -34.97 20.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -83.14 -48.48 10.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -53.98 -32.16 53.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.691 HD12 ' HG2' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -66.32 -50.79 62.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.37 -72.42 0.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -112.76 -13.86 13.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.791 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.691 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -49.69 157.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.409 ' C ' ' CB ' ' A' ' 62' ' ' SER . 10.2 p -113.53 163.29 18.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -18.64 18.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.8 p -80.83 -38.26 16.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' HIS . 6.2 mm-40 -73.58 -52.88 11.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 t -40.73 -44.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.407 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 21.6 t -63.76 -46.83 83.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' GLU . 19.2 m-70 -56.53 -37.14 70.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.605 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -73.69 -40.59 63.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.514 ' HA ' HD12 ' A' ' 80' ' ' LEU . 5.9 t80 -64.13 -53.6 47.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -60.37 -24.38 65.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 7.0 mm-40 -78.59 -39.67 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.834 HD13 HD21 ' A' ' 45' ' ' LEU . 31.1 mt -53.76 -41.26 66.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.472 ' HE3' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -79.7 -32.51 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -37.81 80.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.75 -59.45 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 19.5 m-85 -45.81 -54.79 7.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -43.22 -63.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.623 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.4 m -77.8 86.39 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.465 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.6 91.91 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.5 p -100.02 132.5 45.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.78 55.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 91' ' ' GLY . 32.9 m -63.18 134.24 55.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' SER . . . -36.82 97.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 90' ' ' SER . 18.2 Cg_endo -75.03 79.57 2.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.42 132.38 34.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.006 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.4 m -135.44 131.14 35.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -53.18 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.77 161.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 110.04 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.35 -176.53 41.93 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.72 169.78 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 0.809 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.2 p -170.17 169.52 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.36 -148.19 5.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.35 176.29 3.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.95 150.27 5.64 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.36 177.91 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER 59.54 162.12 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HA ' HD23 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 172.78 61.29 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.003 -0.085 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 13.7 pttt -144.32 126.65 15.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . 176.84 132.66 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -176.75 164.65 2.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -178.66 113.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.173 . . . . 0.0 110.283 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.14 175.9 3.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -121.83 144.38 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.8 p -153.24 151.16 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.53 -61.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 108.306 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.67 87.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.51 151.67 21.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 m120 61.71 158.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 p -169.04 162.36 10.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 140.67 50.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -65.08 151.22 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 m 71.94 -61.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t 61.5 102.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 m -73.23 120.45 18.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.02 174.93 36.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.85 139.51 47.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.79 175.64 5.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 33' ' ' VAL . 12.7 p -52.01 101.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 34' ' ' VAL . 8.9 p -136.82 61.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.8 mp 67.52 -71.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.573 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 33.2 m95 -72.04 129.9 39.65 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.3 m -89.64 145.48 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -38.78 -63.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.9 mt-10 -38.31 -63.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.11 -41.0 11.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.2 m-20 -70.57 -38.34 74.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' GLU . 12.9 mmm180 -68.04 -56.91 7.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.425 ' CG1' ' SD ' ' A' ' 47' ' ' MET . 47.5 t -41.35 -42.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.1 mt -52.27 -68.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 mt -53.48 -43.13 67.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.5 m -50.92 -69.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.383 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' GLN . 8.9 mtp -62.21 -47.87 82.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 93.7 m -51.2 -23.58 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.28 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -89.45 -61.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.5 -59.79 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' MET . 26.8 mt-30 -72.98 -32.53 65.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 108.26 149.76 14.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.1 81.48 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.54 157.17 71.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.0 -8.26 19.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.83 -18.15 28.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.641 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.436 HG22 HD11 ' A' ' 61' ' ' ILE . 35.3 m -84.21 -42.91 15.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 10.6 m-30 -47.1 -23.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 t -66.37 -31.64 72.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -84.7 -48.83 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.494 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 7.5 mt -51.4 -53.61 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 t -43.95 -47.28 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -68.95 -47.93 64.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -55.31 -38.97 69.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.586 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.5 mt -54.6 -52.08 63.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.75 -64.28 0.45 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -139.23 14.29 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.586 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -64.71 -168.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.954 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.3 p -137.99 159.7 67.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.427 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.9 20.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.4 p -87.91 -39.11 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' HIS . 3.5 mm-40 -70.93 -52.0 22.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 69' ' ' THR . 97.4 t -40.87 -42.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 34.8 t -66.39 -45.39 80.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER -59.03 -27.28 65.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -82.8 -40.34 20.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.498 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 9.6 t80 -67.41 -46.54 72.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.3 -23.58 65.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.324 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 3.9 mm-40 -79.23 -45.82 19.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.6 mt -52.62 -55.85 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.551 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.9 mmt -62.03 -12.61 19.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -85.0 -55.3 4.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.3 mt -45.78 -61.43 1.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -47.92 -53.58 15.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.68 -63.85 0.95 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.566 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 m -145.2 117.4 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -136.45 147.71 47.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.95 162.72 16.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 108.268 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -59.9 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.5 m -49.59 131.98 21.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -152.45 -167.81 15.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 171.11 18.96 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.0 t -176.74 162.48 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.3 p 41.02 90.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.45 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 m 56.91 167.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.19 -169.9 12.66 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 m -135.37 170.55 15.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -84.03 169.7 14.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.54 -133.34 4.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.46 157.0 0.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.65 174.12 15.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.89 62.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -152.1 162.08 27.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.01 -30.32 6.1 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.021 0.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.63 117.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.3 153.55 51.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.36 158.79 25.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.04 151.7 26.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.331 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.94 -58.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.7 m 60.5 146.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.7 p -167.92 144.09 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 68.5 154.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.306 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.26 160.2 40.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.2 165.35 11.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -117.33 176.94 4.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.3 p -120.42 151.18 39.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -150.88 168.98 22.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.4 t -150.73 102.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.5 t -145.29 135.9 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.026 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.9 t -48.96 161.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.4 p -127.71 -53.67 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.446 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.26 -64.26 0.44 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.03 156.33 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.787 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -91.96 168.45 11.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 33' ' ' VAL . 7.6 p -138.71 110.4 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.47 -46.31 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.46 -68.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -73.93 163.88 27.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 107.998 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.63 HG22 ' HB3' ' A' ' 40' ' ' ALA . 12.2 t -121.62 -175.01 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -86.63 -65.22 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -39.19 -60.06 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.63 ' HB3' HG22 ' A' ' 37' ' ' THR . . . -54.48 -41.86 70.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.234 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.3 m-20 -62.69 -40.2 96.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' LEU . 7.3 mtp180 -72.45 -49.62 32.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 t -43.23 -51.54 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 1.026 HG12 HG21 ' A' ' 61' ' ' ILE . 52.8 mt -52.71 -42.88 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' O ' ' CB ' ' A' ' 49' ' ' GLN . 43.9 mt -64.57 -38.41 90.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.3 m -71.34 -49.58 40.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.518 ' CE ' ' CG1' ' A' ' 60' ' ' VAL . 78.6 mmm -61.26 -59.52 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.469 ' HB2' ' HB2' ' A' ' 53' ' ' ALA . 13.7 p -56.39 -19.81 16.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 30.2 tt0 -83.2 -63.94 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.61 -59.98 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' MET . 7.3 mm100 -63.4 -33.41 75.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.47 118.56 3.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -45.95 109.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.743 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.522 ' NE2' ' HA ' ' A' ' 54' ' ' GLN . 6.9 mm-40 -139.66 164.14 40.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.68 12.63 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.522 1.801 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -42.6 9.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.665 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -42.57 -44.93 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 74' ' ' SER . 23.0 m-85 -47.56 -29.6 2.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -60.35 -17.97 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.518 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 28.7 t -88.51 -50.91 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.026 HG21 HG12 ' A' ' 44' ' ' ILE . 4.7 mt -57.44 -50.13 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.14 -45.38 16.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -72.26 -38.53 68.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.64 -26.39 66.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.827 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.8 mt -72.66 -52.64 14.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.47 -77.02 0.32 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.435 1.085 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.45 -17.18 13.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.827 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -45.17 156.33 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.714 ' O ' HG23 ' A' ' 73' ' ' VAL . 70.0 p -109.31 160.55 27.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.425 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -16.46 20.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.55 1.816 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 p -86.79 -32.69 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -76.9 -49.19 16.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 69' ' ' THR . 53.0 t -43.13 -42.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 16.7 t -63.38 -49.17 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -54.52 -27.76 40.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.575 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -81.17 -37.27 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.562 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 6.0 t80 -67.35 -44.39 79.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -68.22 -24.38 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.4 mm-40 -78.47 -49.24 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.6 mt -51.39 -57.5 8.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.558 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.8 mmt -61.89 -12.61 18.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -75.47 -51.94 11.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.699 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -62.87 -45.09 94.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.54 -48.18 81.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -62.28 -60.07 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.611 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -137.94 110.13 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.4 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 83' ' ' LEU . . . -121.33 -178.52 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -170.94 147.25 2.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 108.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -78.38 147.54 34.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 t -163.53 160.53 23.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.97 69.05 1.47 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -55.19 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.5 p -142.23 147.65 36.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.019 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.2 t -112.92 -58.76 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 179.39 6.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.98 -58.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.84 -89.17 1.03 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.77 155.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.995 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 178.48 169.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.54 -174.61 26.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.436 1.085 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.48 171.86 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 0.794 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -137.42 -162.33 9.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.499 ' C ' HD23 ' A' ' 11' ' ' LEU . . . -168.75 105.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.502 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -154.51 160.78 30.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 -177.91 21.92 Favored 'Cis proline' 0 C--N 1.359 1.107 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.033 0.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.03 100.47 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.31 175.61 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.72 168.15 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -171.23 169.51 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.08 158.53 3.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -148.94 151.68 35.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -135.88 157.85 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.86 144.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.06 139.86 29.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -143.71 152.23 41.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -153.96 171.38 19.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.78 159.88 20.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.032 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.1 151.91 51.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.0 t 61.89 96.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 t -163.55 162.99 24.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.988 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.8 147.54 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -60.31 131.61 51.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.56 108.21 2.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 62.14 167.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.62 91.94 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 1.01 HG13 HG23 ' A' ' 34' ' ' VAL . 4.7 p -157.14 160.7 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 1.01 HG23 HG13 ' A' ' 33' ' ' VAL . 11.3 t 71.69 -62.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.368 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tt -44.14 -51.57 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.907 ' CZ3' HD11 ' A' ' 44' ' ' ILE . 22.2 m95 -94.93 123.47 38.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 108.035 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 m -73.17 153.36 40.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -53.53 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.2 tp10 -41.65 -61.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.58 -46.22 73.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.64 -51.95 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -64.26 -47.5 79.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 39' ' ' GLU . 25.1 t -41.58 -44.29 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.907 HD11 ' CZ3' ' A' ' 36' ' ' TRP . 67.3 mt -53.63 -63.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLN . 44.2 mt -57.6 -49.19 77.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -47.79 -63.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.516 ' HE3' ' CG1' ' A' ' 60' ' ' VAL . 31.3 mmm -64.28 -38.85 92.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 58.4 m -64.64 -17.89 64.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' LEU . 17.0 tt0 -90.54 -65.04 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -60.01 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.403 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 3.8 mt-30 -73.62 -32.05 63.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 107.98 156.26 19.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -80.1 77.13 6.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.403 ' NE2' ' O ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -121.85 157.17 58.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.473 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -74.98 -11.37 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.803 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.13 -14.85 40.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.3 m -86.22 -42.89 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 10.4 m-30 -47.77 -23.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.2 t -67.21 -30.4 70.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.516 ' CG1' ' HE3' ' A' ' 47' ' ' MET . 0.3 OUTLIER -86.06 -48.71 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.496 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 32.1 mt -50.87 -49.8 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.97 -49.38 5.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -50.79 47.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -49.36 -39.33 31.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.64 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.0 mt -59.56 -51.34 70.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.86 -57.47 0.56 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -143.63 17.47 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.754 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.64 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -73.98 159.16 33.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.2 p -104.79 160.84 24.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.67 20.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -82.14 -45.4 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' HIS . 5.0 mm-40 -64.33 -48.73 74.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 69' ' ' THR . 55.9 t -51.34 -26.77 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.433 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 26.5 t -80.41 -28.78 37.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' GLU . 66.3 m-70 -81.76 -25.99 34.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.494 ' HD3' ' CD2' ' A' ' 36' ' ' TRP . 12.2 tpt180 -77.65 -36.55 51.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.567 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 4.7 t80 -67.26 -51.56 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -63.27 -24.55 67.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.7 mm-40 -79.17 -49.23 12.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.7 mt -51.72 -55.22 20.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.543 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.9 mmt -61.98 -12.66 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -80.1 -46.86 15.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.589 ' C ' HD12 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -55.7 -36.7 67.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.05 -45.1 93.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -62.95 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.6 m -110.25 114.77 28.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.4 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -126.73 158.22 37.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 10.9 p -140.68 102.04 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 108.333 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -46.69 141.85 3.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 110.258 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.97 106.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.989 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.28 97.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.116 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -51.22 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.444 1.76 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.59 163.75 27.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 m -161.62 -60.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -52.92 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -163.98 168.47 19.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.76 106.75 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -165.79 152.95 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.022 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.13 -58.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.71 153.86 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.954 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.37 163.56 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.19 -170.84 12.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.07 60.1 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.241 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.526 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 0.7 OUTLIER -112.09 162.05 23.1 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.02 -41.55 0.98 Allowed 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.019 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 7.3 pttm -99.68 -170.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . 177.44 115.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.8 p 62.3 169.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -159.49 166.54 30.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.45 -55.24 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.43 ' C ' HG23 ' A' ' 19' ' ' VAL . 98.0 m 63.29 -82.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.387 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.43 HG23 ' C ' ' A' ' 18' ' ' THR . 3.4 t 71.07 -68.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.87 172.86 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.271 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.33 154.5 34.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.167 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -143.79 144.87 31.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -108.39 116.85 32.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -61.77 -61.24 2.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' N ' ' OG ' ' A' ' 24' ' ' SER . 0.1 OUTLIER 63.18 171.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.2 t -117.1 -66.18 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.9 m 62.42 98.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 t -170.11 164.45 9.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.524 HG21 ' CB ' ' A' ' 90' ' ' SER . 17.7 m 63.49 112.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.24 119.54 1.98 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -112.69 138.73 49.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.76 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.82 64.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 33' ' ' VAL . 12.9 p -127.28 116.03 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 51.3 t -140.27 -57.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -75.39 -55.89 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.569 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 13.7 m95 -80.05 170.94 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.602 HG23 ' H ' ' A' ' 40' ' ' ALA . 5.1 t -110.05 157.67 19.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' GLU . 2.5 tpt180 -57.68 -62.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.5 OUTLIER -38.48 -57.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.602 ' H ' HG23 ' A' ' 37' ' ' THR . . . -52.07 -46.89 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.23 -35.26 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -72.18 -43.38 64.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 39' ' ' GLU . 71.9 t -56.27 -61.24 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.611 HG12 HG21 ' A' ' 61' ' ' ILE . 81.2 mt -40.3 -41.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.52 -61.56 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -51.98 -49.21 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLN . 97.7 mmm -59.7 -63.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.5 p -55.22 -20.51 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -81.77 -65.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -59.35 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -66.04 -32.19 73.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.577 ' O ' HG21 ' A' ' 57' ' ' THR . . . 105.88 149.29 17.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.47 55.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -84.99 168.22 21.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.559 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -74.99 -44.52 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -70.13 -38.44 75.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.587 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.577 HG21 ' O ' ' A' ' 52' ' ' GLY . 1.2 m -45.31 -42.39 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.357 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 14.3 m-30 -51.98 -23.37 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.9 t -74.13 -16.74 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.9 t -84.12 -59.5 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.611 HG21 HG12 ' A' ' 44' ' ' ILE . 2.6 mp -52.13 -43.05 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.08 -38.48 3.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -82.58 -35.15 27.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -59.44 -53.8 53.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.664 HD12 ' CG ' ' A' ' 68' ' ' LYS . 4.5 mt -46.18 -49.3 17.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.2 -51.24 0.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.22 25.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.664 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.49 150.88 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.885 ' O ' HG23 ' A' ' 73' ' ' VAL . 14.5 p -92.4 161.02 33.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.53 20.18 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.0 p -86.57 -37.32 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.71 -45.74 50.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 69' ' ' THR . 99.2 t -53.0 -52.14 31.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.491 ' OG ' ' CE2' ' A' ' 58' ' ' PHE . 4.7 t -61.03 -41.51 96.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -59.43 -28.24 66.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -80.43 -38.38 30.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.07 -45.41 83.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 5.7 ppt_? -70.83 -28.98 65.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 36.5 mt-10 -73.33 -37.95 65.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.6 -57.47 11.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.541 ' CE ' ' N ' ' A' ' 81' ' ' MET . 22.4 mmt -62.34 -12.5 21.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.417 ' O ' HG22 ' A' ' 86' ' ' THR . 16.9 tm0? -71.62 -54.88 8.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.6 mt -44.65 -59.76 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -58.21 -45.88 86.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.18 -65.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.581 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.6 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 2.3 t -69.35 -30.56 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . 77.65 -65.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 4.4 t 86.15 -72.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.22 89.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.253 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.524 ' CB ' HG21 ' A' ' 29' ' ' THR . 3.9 m -45.7 141.24 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 175.81 78.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 74.98 3.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.0 p -88.78 161.28 16.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.55 -62.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 179.58 5.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.764 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.5 169.5 15.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.9 -173.89 14.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.563 1.164 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.38 165.94 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.5 170.03 15.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.12 -145.1 4.13 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.84 167.14 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.15 173.47 42.71 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.37 -60.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.537 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -43.61 156.25 0.29 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.0 -174.18 13.66 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.059 -2.476 . . . . 0.0 110.977 -0.014 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.1 107.32 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.41 153.98 11.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.93 123.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.01 140.07 16.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.46 154.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.0 m -119.67 143.76 47.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.7 m -134.72 170.89 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.1 p -72.33 136.51 46.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 108.344 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.9 -62.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -142.83 146.11 33.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -153.97 -54.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 t 65.26 147.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.051 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -158.38 150.06 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.3 m -53.54 156.79 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.2 140.24 48.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.46 108.57 17.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.8 p -44.34 146.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.38 -114.48 3.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 54.32 88.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.773 . . . . 0.0 110.26 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -86.25 86.65 7.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.9 109.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.39 45.96 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.38 -53.11 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 9.2 m95 -85.75 170.76 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.02 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 t -106.43 151.75 24.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.1 tpt180 -53.51 -60.21 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 43' ' ' VAL . 4.6 mt-10 -38.33 -66.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.19 -52.12 47.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -37.75 50.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' ARG . 23.5 mtm180 -76.05 -51.07 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 39' ' ' GLU . 72.4 t -41.57 -61.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.916 ' CG1' HG21 ' A' ' 61' ' ' ILE . 43.6 mt -45.9 -54.6 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.6 mt -50.28 -39.52 45.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.7 m -73.35 -52.54 13.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.379 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.439 ' CE ' ' CG1' ' A' ' 60' ' ' VAL . 91.9 mmm -61.69 -66.06 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.479 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 14.5 p -42.91 -33.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.344 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -70.17 -59.76 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -60.08 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -63.4 -35.5 80.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 88.9 47.69 4.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.421 1.076 . . . . 0.0 110.971 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . . . 42.15 63.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.08 169.75 17.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.87 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.82 -32.38 35.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.567 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -49.75 -39.4 37.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 74' ' ' SER . 29.7 m-85 -52.3 -23.99 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t -88.01 -18.75 28.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.439 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 41.2 t -75.09 -60.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.916 HG21 ' CG1' ' A' ' 44' ' ' ILE . 3.1 mt -55.44 -43.83 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.11 -43.03 20.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -76.49 -39.44 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -61.63 -28.15 69.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.687 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.9 mt -70.19 -49.1 53.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.13 -60.5 0.55 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -139.41 14.73 2.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.75 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.687 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -71.24 159.06 35.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.0 p -105.94 160.43 26.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -74.97 -16.28 20.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -86.73 -37.61 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.16 -39.37 68.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.1 t -61.09 -47.65 92.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.475 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 5.9 t -62.93 -26.04 68.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -78.15 -29.45 48.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.578 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -83.2 -32.57 26.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 9.7 t80 -72.08 -35.76 69.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -78.7 -23.07 45.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 2.6 mm-40 -78.82 -46.37 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.8 mt -52.44 -57.26 10.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.552 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.5 mmt -62.01 -12.59 19.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -55.8 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.52 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 4.3 mt -48.09 -61.18 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -46.23 -54.86 8.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.28 -66.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.0 p -141.13 108.29 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 83' ' ' LEU . . . -138.95 164.42 29.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.42 157.26 44.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 108.279 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.12 156.12 30.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -137.75 -53.85 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.11 157.6 12.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.47 2.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.33 -58.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.7 m -51.97 137.8 26.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.36 4.91 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.47 156.47 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.2 177.68 42.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -178.64 167.55 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.974 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -169.36 168.14 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.049 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.05 -173.22 12.91 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.49 168.75 26.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 0.801 . . . . 0.0 109.303 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.13 -151.58 8.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.771 ' C ' HD23 ' A' ' 11' ' ' LEU . . . -159.57 100.1 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.771 HD23 ' C ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -164.45 153.87 11.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.06 -172.2 10.45 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.99 -2.504 . . . . 0.0 110.977 0.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.89 100.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.18 179.34 6.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.29 169.62 22.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -115.92 163.17 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.45 175.51 9.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.3 t -147.96 162.23 39.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -133.53 167.62 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.23 160.71 20.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.295 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.4 174.26 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -119.56 146.88 45.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -90.76 142.74 27.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.35 140.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -169.76 124.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.4 p -172.4 144.13 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.69 142.44 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.2 m -154.58 169.13 24.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.7 p -66.2 147.9 52.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.91 163.88 20.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.93 166.93 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.79 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.57 112.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 34' ' ' VAL . 5.6 p -170.96 133.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 33' ' ' VAL . 6.4 m -156.14 -52.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.61 -52.49 7.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 10.7 m95 -76.95 159.46 29.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.031 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.5 t -107.72 145.22 33.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 41' ' ' ASP . 1.5 tpt180 -45.86 -60.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -38.41 -52.91 1.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.2 76.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 38' ' ' ARG . 28.3 m-20 -63.1 -42.5 99.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -66.29 -60.99 2.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 t -40.96 -44.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mt -50.44 -59.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLN . 35.6 mt -59.3 -48.85 80.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.0 m -51.98 -60.99 2.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.472 ' CE ' HG11 ' A' ' 60' ' ' VAL . 36.3 mmm -62.54 -46.32 88.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.402 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 96.7 m -61.92 -19.48 62.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.1 tp60 -89.65 -64.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -59.31 5.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -73.16 -30.28 63.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 105.83 152.02 20.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.17 76.24 3.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.747 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -120.85 157.21 55.37 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.575 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.99 -11.18 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.57 -24.28 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.626 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.5 m -78.05 -38.45 44.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 10.8 m-30 -51.29 -27.59 9.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -70.34 -17.35 63.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.472 HG11 ' CE ' ' A' ' 47' ' ' MET . 16.1 t -92.27 -56.58 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.42 ' CG2' HD21 ' A' ' 65' ' ' LEU . 8.9 mt -51.3 -45.64 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.97 -55.51 6.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -63.29 -43.81 96.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -56.26 -41.25 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.65 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.3 mt -53.88 -53.1 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.72 -58.01 0.52 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.09 16.34 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.65 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -74.85 165.2 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.869 ' O ' HG23 ' A' ' 73' ' ' VAL . 71.9 p -116.8 160.67 35.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.368 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -15.59 20.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.3 p -82.74 -44.62 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.28 -47.63 55.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 69' ' ' THR . 69.7 t -48.96 -37.27 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.484 ' HG ' ' HE2' ' A' ' 58' ' ' PHE . 23.1 t -71.52 -39.58 70.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -65.15 -23.98 67.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -83.11 -37.9 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.501 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 5.8 t80 -66.81 -43.5 83.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -68.3 -24.81 64.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 16.4 mm-40 -79.73 -42.35 24.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.2 mt -56.28 -55.73 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.558 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.8 mmt -62.24 -12.61 21.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -90.37 -51.91 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.652 ' C ' HD12 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -52.41 -30.58 29.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -49.64 42.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -61.53 2.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.623 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.0 m -116.3 128.39 55.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 83' ' ' LEU . . . -149.12 -61.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.0 t 57.43 72.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 54.6 97.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.68 140.64 30.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.42 86.93 0.67 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -46.24 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.17 149.98 28.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.65 123.16 36.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.7 5.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -131.56 166.67 20.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.054 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.27 -178.44 42.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.23 165.45 25.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.46 164.04 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.57 167.04 12.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.11 -56.92 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.784 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.52 -171.16 20.92 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.142 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.47 -58.05 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.969 ' O ' HD13 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.97 155.57 0.84 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.7 ' N ' HD22 ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.02 133.98 33.87 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.007 0.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' N ' ' HA ' ' A' ' 11' ' ' LEU . 14.3 tttp -65.97 158.62 27.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -177.94 114.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.33 167.69 12.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.6 113.9 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.87 164.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 m -152.75 144.62 23.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.0 m -42.8 131.16 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.9 p -159.07 150.02 19.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 108.317 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.25 159.15 0.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -143.71 158.71 43.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m120 62.98 168.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 m -141.44 145.55 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.005 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -98.6 144.69 27.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.7 t 64.7 139.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 p -150.42 149.86 30.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.1 p -179.19 104.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.4 p -91.98 -53.81 4.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.23 -128.34 8.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.15 . . . . 0.0 111.032 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -178.74 117.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.292 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -168.34 133.08 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.411 ' C ' HG23 ' A' ' 34' ' ' VAL . 11.7 p -164.91 127.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 33' ' ' VAL . 79.1 t -152.38 -55.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.746 HD12 ' CD1' ' A' ' 36' ' ' TRP . 1.1 tm? -87.41 -75.44 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.746 ' CD1' HD12 ' A' ' 35' ' ' LEU . 29.0 m95 -78.27 167.27 21.62 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -112.45 -167.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.47 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' NE ' ' HD2' ' A' ' 42' ' ' ARG . 4.3 ttt180 -79.82 -68.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.57 -63.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.99 -46.72 33.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 15.4 mtp-105 -66.99 -59.74 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.9 t -40.44 -46.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.475 HD11 ' CZ3' ' A' ' 36' ' ' TRP . 48.4 mt -51.15 -59.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 80' ' ' LEU . 72.3 mt -58.52 -48.36 81.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 m -53.52 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.15 -45.78 83.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.1 m -62.93 -20.4 65.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.294 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.0 tp60 -90.35 -63.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -59.94 4.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -73.51 -31.49 63.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.36 158.3 20.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.43 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -81.09 75.27 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -118.81 157.08 51.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.99 -11.37 21.49 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -86.05 -18.19 33.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.571 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.642 HG22 ' CD1' ' A' ' 61' ' ' ILE . 7.2 m -83.96 -38.01 21.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 6.6 m-30 -52.59 -24.72 8.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -74.54 -17.17 60.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 t -92.33 -53.13 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.642 ' CD1' HG22 ' A' ' 57' ' ' THR . 5.1 mt -59.2 -50.36 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.1 p -48.88 -39.38 25.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.028 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -78.21 -38.62 42.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.02 -30.47 71.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.758 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.8 mt -64.93 -52.18 57.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.68 -73.5 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -113.83 -11.84 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.758 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -52.73 160.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.759 ' O ' HG23 ' A' ' 73' ' ' VAL . 48.9 p -119.73 160.8 40.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -17.1 19.75 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.84 -23.53 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -91.0 -50.58 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 69' ' ' THR . 98.7 t -47.53 -34.43 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.549 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 28.8 t -66.64 -41.7 87.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -67.73 -23.17 65.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.582 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HD3' ' CE2' ' A' ' 36' ' ' TRP . 23.2 tpt180 -78.58 -30.68 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.43 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 10.3 t80 -78.7 -51.77 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -25.31 65.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -78.56 -46.99 18.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.429 HD13 HD21 ' A' ' 45' ' ' LEU . 50.0 mt -54.48 -53.49 53.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.556 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.4 mmt -62.68 -12.55 24.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -84.76 -46.88 10.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.867 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 91.1 mt -54.94 -55.74 27.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -62.81 -31.39 72.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -64.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.59 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 3.6 m -134.26 -50.51 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.867 ' HB2' ' O ' ' A' ' 83' ' ' LEU . . . 67.3 127.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -121.28 136.63 54.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 108.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 60.06 73.44 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.359 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.79 -67.58 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.54 97.21 1.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 66.65 6.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t 54.95 168.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.7 t 58.03 92.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 142.0 27.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -65.76 124.77 23.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.7 -59.63 1.24 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.37 120.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.52 ' HB3' HD21 ' A' ' 11' ' ' LEU . 14.8 m 56.66 165.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.046 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.14 -69.7 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.79 136.02 4.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 0.779 . . . . 0.0 109.256 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.36 -176.11 20.76 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.07 -63.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.797 HD12 ' CA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -45.71 159.16 0.31 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.797 ' CA ' HD12 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.97 143.23 77.16 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.0 -0.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.33 70.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.78 115.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.5 p -160.91 -57.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 64.56 122.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.69 175.62 7.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.2 t -139.46 163.72 31.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.435 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.8 p -145.49 158.03 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.1 t -174.57 94.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.36 -61.17 2.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t30 61.1 152.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -156.98 159.78 38.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.89 158.87 12.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.71 163.66 28.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.9 m -56.55 156.44 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.04 120.6 11.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.4 p -166.62 131.6 2.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.6 p -75.91 152.31 37.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.9 78.7 0.03 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.5 167.97 28.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.35 127.28 48.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 p -140.53 102.35 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 34' ' ' VAL . 12.4 p -143.7 51.78 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.722 HD12 ' CD1' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -169.01 -71.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.722 ' CD1' HD12 ' A' ' 35' ' ' LEU . 25.3 m95 -82.58 151.03 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 38' ' ' ARG . 1.9 t -96.52 176.45 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.45 ' N ' ' OG1' ' A' ' 37' ' ' THR . 2.6 ttm-85 -74.11 -56.63 4.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.648 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.1 tt0 -38.48 -61.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.29 -58.05 9.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -45.93 -36.84 5.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.4 -55.84 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.25 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 39' ' ' GLU . 88.7 t -45.3 -49.31 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.544 HG12 HG13 ' A' ' 73' ' ' VAL . 73.1 mt -46.13 -59.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 40.5 mt -59.87 -53.77 54.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.1 m -45.56 -59.72 2.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.3 mmm -65.32 -44.87 86.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ALA . 60.8 m -60.57 -17.08 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.1 tp60 -90.5 -63.64 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.56 -60.12 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -34.24 65.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.9 149.77 10.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.135 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.586 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.18 67.44 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.763 . . . . 0.0 109.342 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.509 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 1.2 pt20 -117.04 166.82 12.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.59 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.01 -44.09 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.407 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -54.98 -19.27 6.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.587 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -83.99 -45.46 13.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.59 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 10.7 m-30 -48.32 -26.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -63.98 -19.57 65.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.3 t -92.35 -56.77 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.46 HG21 HG12 ' A' ' 44' ' ' ILE . 12.4 mt -52.79 -47.8 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 p -48.03 -39.74 20.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -77.23 -42.02 38.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -59.52 -42.38 92.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.874 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.6 mt -51.2 -52.79 41.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.89 -62.76 0.57 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -132.11 19.47 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.874 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -86.78 147.16 25.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.6 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.0 p -95.19 163.35 22.02 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.53 20.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.19 -29.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.58 -44.14 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 69' ' ' THR . 88.8 t -51.94 -35.0 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.552 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 43.5 t -70.27 -51.16 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -55.99 -30.3 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -77.86 -38.65 45.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 6.4 t80 -68.58 -50.36 52.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -61.71 -24.59 66.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.4 mm-40 -78.11 -50.57 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.3 mt -51.62 -55.92 16.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.554 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.9 mmt -61.84 -12.56 18.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -76.98 -58.02 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mt -43.45 -62.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -49.3 -55.59 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -51.78 -62.15 1.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.601 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.3 m -111.37 85.17 2.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.369 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.66 -62.12 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 t 76.97 -59.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 108.289 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 61.3 115.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -124.56 -58.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -177.01 75.53 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.67 4.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.798 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t 48.61 89.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.0 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.5 p -136.92 134.55 36.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.953 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.41 6.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.39 158.63 43.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.68 -154.75 6.22 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -74.75 90.4 2.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.01 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -61.25 172.49 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.998 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.94 98.78 2.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.85 157.27 18.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.0 -167.44 31.71 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.11 74.83 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.532 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -171.13 155.54 4.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.02 153.56 99.2 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.008 -2.496 . . . . 0.0 110.995 -0.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -52.71 113.81 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.93 107.87 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.8 p -146.31 146.02 30.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.033 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 63.38 122.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.81 141.37 21.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 m -123.25 129.71 51.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.415 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -149.18 153.42 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.19 161.53 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.83 163.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.22 -54.06 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -47.05 157.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.2 t -178.83 136.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.039 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.41 105.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 p -159.45 135.2 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.4 t -96.55 -60.86 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.8 p 49.51 95.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.4 m -109.22 145.23 36.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.62 -120.79 6.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 60.88 107.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 110.275 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -73.11 159.17 33.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p -162.47 114.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 34' ' ' VAL . 13.0 p -163.96 54.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 35' ' ' LEU . 1.1 mt -168.4 -54.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.569 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 7.1 m95 -91.91 150.45 21.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 107.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 m -93.93 134.47 36.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -46.18 -62.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.813 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.2 mm-40 -39.45 -51.38 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.504 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -59.29 -43.98 92.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ARG . 13.5 m-20 -63.49 -39.4 94.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -71.26 -54.21 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 39' ' ' GLU . 69.1 t -40.52 -59.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.949 HG12 HG21 ' A' ' 61' ' ' ILE . 56.6 mt -46.17 -53.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 mt -52.52 -31.3 34.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' VAL . 89.8 m -81.78 -54.05 5.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.3 mmm -59.44 -53.4 58.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' ALA . 13.8 p -58.82 -18.18 30.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -90.18 -66.44 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.77 -60.07 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -73.24 -33.7 65.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 108.62 147.08 12.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -69.36 81.59 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.411 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -127.45 157.21 73.58 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.548 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -75.1 -11.72 21.31 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -85.7 -17.19 36.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -85.19 -42.37 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 5.7 m-30 -48.81 -22.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -68.75 -27.85 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -88.06 -48.3 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.949 HG21 HG12 ' A' ' 44' ' ' ILE . 30.3 mt -51.13 -46.89 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -44.33 56.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -72.4 -43.84 63.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.224 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -57.99 -35.1 70.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.783 HD12 ' HG2' ' A' ' 68' ' ' LYS . 1.5 mt -70.45 -50.92 33.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.46 -72.38 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.1 -13.17 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.783 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -47.62 152.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.55 ' O ' HG23 ' A' ' 73' ' ' VAL . 72.7 p -107.74 160.58 26.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.89 19.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.4 p -86.79 -39.0 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 75' ' ' HIS . 4.9 mm-40 -73.63 -47.43 40.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 69' ' ' THR . 10.3 t -44.39 -43.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.502 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 7.3 t -65.47 -39.89 92.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' GLU . 33.2 m170 -62.87 -26.59 68.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HD3' ' CD2' ' A' ' 36' ' ' TRP . 23.6 tpt180 -80.55 -35.25 34.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.245 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.441 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 11.5 t80 -72.81 -49.54 29.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -63.15 -23.91 67.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 6.5 mm-40 -80.04 -48.08 13.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.0 mt -52.18 -56.26 15.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.549 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.4 mmt -61.93 -12.52 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -79.8 -54.97 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 mt -45.07 -62.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -47.29 -50.75 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -46.67 -62.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.5 m -150.58 108.64 3.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -142.2 172.5 12.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.18 77.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 108.318 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -136.39 164.72 27.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -164.67 159.62 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.98 157.71 21.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.41 41.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.7 p -166.98 156.24 10.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.5 m 62.83 -94.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.963 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.92 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 177.13 9.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 p -149.36 166.49 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.954 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.3 -125.16 4.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m 62.13 134.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -169.57 101.56 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.98 162.3 29.82 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.23 164.88 36.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.283 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.66 149.31 16.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.8 142.35 17.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.81 HD13 ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER 63.6 148.11 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.81 ' HA ' HD13 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.02 163.62 90.29 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.045 -0.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.92 -72.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.68 157.59 36.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.15 -56.37 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 62.17 169.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.8 172.97 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.3 p -146.97 165.12 30.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.7 t -123.06 119.53 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.0 p -124.9 164.36 20.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 108.247 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.14 108.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 174.86 98.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.24 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -175.0 -56.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.6 p -50.41 137.32 19.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -177.18 -63.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.0 p -73.67 158.0 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.23 141.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.2 t -177.99 139.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -160.01 140.67 12.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.65 140.6 3.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -140.83 100.28 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.288 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 61.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.5 t -131.45 83.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.701 ' O ' HG12 ' A' ' 34' ' ' VAL . 56.0 t -116.85 57.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' HA ' HD22 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -164.91 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.54 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 17.6 m95 -72.84 158.19 36.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 107.983 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 77.8 p -99.69 163.59 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -56.79 -61.19 2.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.82 -59.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -54.34 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.68 -38.17 31.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -75.36 -55.72 5.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.511 HG12 HG23 ' A' ' 61' ' ' ILE . 23.1 t -40.71 -43.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.466 HD11 ' CZ3' ' A' ' 36' ' ' TRP . 44.2 mt -55.39 -60.03 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 49' ' ' GLN . 62.5 mt -59.46 -55.1 38.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -45.02 -63.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.516 ' HB2' HD11 ' A' ' 61' ' ' ILE . 86.1 mmm -58.15 -44.25 87.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.411 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 10.2 m -61.18 -21.01 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 17.4 tt0 -90.48 -61.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.87 -60.0 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.416 ' O ' ' NE2' ' A' ' 54' ' ' GLN . 6.9 mm100 -74.15 -29.65 61.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 106.4 154.07 20.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.477 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -79.33 72.21 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.416 ' NE2' ' O ' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -118.29 157.37 49.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.539 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -74.98 -10.01 21.05 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -88.59 -15.01 36.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.5 m -89.24 -35.37 16.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.539 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 9.7 m-30 -52.76 -24.62 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -76.8 -17.1 59.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.21 -54.12 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 47' ' ' MET . 7.6 mt -56.93 -36.47 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -48.58 54.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -70.68 -39.82 73.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -55.29 -39.52 69.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.73 HD12 ' CG ' ' A' ' 68' ' ' LYS . 3.1 mt -59.29 -52.18 66.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.47 -51.44 0.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -147.02 19.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.787 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.73 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.26 153.39 28.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.493 ' OG1' HG12 ' A' ' 71' ' ' VAL . 11.1 p -106.48 162.73 18.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -16.85 19.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.493 HG12 ' OG1' ' A' ' 69' ' ' THR . 7.2 p -81.29 -25.23 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -91.43 -41.16 11.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.332 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.8 t -58.99 -30.7 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -73.14 -50.52 22.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.039 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 9.4 m170 -61.16 -27.5 68.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.567 ' NH2' HD21 ' A' ' 80' ' ' LEU . 5.4 tpt180 -79.7 -33.93 40.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.654 ' O ' ' HE3' ' A' ' 81' ' ' MET . 7.8 t80 -68.13 -49.08 63.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -68.05 -19.93 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' GLN . 5.2 mm-40 -79.36 -50.47 10.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 84' ' ' PHE . 77.4 mt -44.42 -33.5 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.654 ' HE3' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -91.58 -28.06 17.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 79' ' ' GLU . 40.7 tp60 -68.35 -32.3 72.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.59 ' C ' HD12 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -75.62 -39.32 58.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 5.9 m-85 -64.72 -51.1 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -45.66 -61.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.584 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.8 m -132.3 113.42 13.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -115.08 153.38 30.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 7.4 p -153.66 165.84 34.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 62.0 135.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.3 p -164.56 96.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 170.0 170.83 34.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.65 42.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.5 p -155.85 123.57 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.7 m -84.52 163.61 19.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' ASP . 3.6 tpt180 -46.82 -62.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -39.34 -55.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.72 62.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.9 m-20 -69.09 -37.24 78.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -66.36 -55.92 13.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.3 t -42.66 -45.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.561 HG12 HG13 ' A' ' 73' ' ' VAL . 48.9 mt -48.3 -61.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' GLN . 47.3 mt -55.91 -49.15 74.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.0 m -51.09 -61.96 1.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.471 ' HB2' HD11 ' A' ' 61' ' ' ILE . 97.4 mmm -61.13 -50.77 71.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ALA . 58.0 m -59.46 -17.67 33.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LEU . 33.9 tt0 -90.5 -62.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.65 -59.99 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -33.72 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.513 ' O ' HG21 ' A' ' 57' ' ' THR . . . 111.7 146.25 10.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.586 1.179 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -74.92 58.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.459 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -83.97 169.35 17.33 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.95 -48.13 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -36.33 76.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.513 HG21 ' O ' ' A' ' 52' ' ' GLY . 1.3 m -45.71 -43.72 13.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -51.82 -20.18 2.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -74.46 -16.37 60.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.436 ' CG1' ' HE2' ' A' ' 47' ' ' MET . 20.3 t -84.8 -63.67 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.621 ' CG2' HD21 ' A' ' 65' ' ' LEU . 4.0 mt -48.61 -51.42 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -40.25 -40.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -79.64 -40.05 30.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' ILE . 12.5 mm100 -59.36 -40.56 86.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.621 HD21 ' CG2' ' A' ' 61' ' ' ILE . 6.2 mt -54.46 -54.13 44.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.2 -64.17 0.34 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -141.51 19.1 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.47 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -69.85 179.78 2.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.3 p -129.24 160.26 64.88 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -16.72 20.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.9 p -83.8 -30.29 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -86.52 -46.46 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.561 HG13 HG12 ' A' ' 44' ' ' ILE . 10.7 t -49.39 -41.21 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 t -69.86 -44.22 70.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.033 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -33.51 66.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -78.12 -44.6 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.654 ' HA ' HD12 ' A' ' 80' ' ' LEU . 10.6 t80 -61.5 -48.01 83.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -24.9 67.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -83.04 -41.04 19.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 77' ' ' PHE . 36.7 mt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.499 HG23 ' H ' ' A' ' 40' ' ' ALA . 10.0 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -40.63 -63.47 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' ARG . 3.5 mm-40 -37.67 -58.73 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.499 ' H ' HG23 ' A' ' 37' ' ' THR . . . -49.56 -45.06 47.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.5 m-20 -66.66 -37.24 84.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 5.4 mmm180 -67.47 -58.92 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -43.29 -40.37 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.453 HG12 HG21 ' A' ' 61' ' ' ILE . 3.9 mt -56.27 -58.32 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.728 HD21 HD13 ' A' ' 80' ' ' LEU . 35.7 mt -60.44 -55.92 27.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -48.07 -57.51 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 80.2 mmm -63.16 -46.4 87.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.402 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 64.2 m -61.49 -17.2 53.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 45' ' ' LEU . 31.7 tt0 -90.57 -64.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.24 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.04 -60.14 4.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -33.79 64.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 110.36 160.34 17.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.489 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -83.21 75.19 9.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 0.809 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.51 157.44 56.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.557 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.03 -8.1 19.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.58 -22.44 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.605 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.525 HG22 ' CD1' ' A' ' 61' ' ' ILE . 2.1 m -79.83 -40.1 29.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.432 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 7.1 m-30 -50.6 -29.69 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -67.4 -18.91 65.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 t -91.37 -55.16 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.525 ' CD1' HG22 ' A' ' 57' ' ' THR . 7.5 mt -56.81 -46.31 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 t -45.76 -35.84 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -85.09 -41.57 15.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -56.45 -34.68 67.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.818 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.6 mt -58.54 -50.61 73.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.38 -57.27 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -140.44 15.89 2.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.818 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.0 159.17 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.7 p -106.54 163.11 17.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.01 20.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 72' ' ' GLU . 9.0 p -83.7 -49.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.469 ' N ' HG13 ' A' ' 71' ' ' VAL . 8.5 mm-40 -58.41 -54.49 46.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 69' ' ' THR . 93.7 t -42.23 -50.23 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.557 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 17.6 t -59.18 -43.38 92.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -62.94 -31.84 73.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.626 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -77.39 -40.14 44.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.489 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 10.5 t80 -63.36 -49.18 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -24.5 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -79.64 -40.6 28.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.728 HD13 HD21 ' A' ' 45' ' ' LEU . 29.0 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -74.65 -62.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.88 -65.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.13 -47.94 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.79 -43.69 77.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -69.61 -54.53 13.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.86 -55.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.879 HG12 HG21 ' A' ' 61' ' ' ILE . 18.1 mt -41.41 -57.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 49' ' ' GLN . 34.1 mt -59.13 -54.18 49.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.8 m -46.38 -60.83 2.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 59.7 mtp -63.13 -44.22 96.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.5 m -59.68 -20.74 58.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 45' ' ' LEU . 35.4 tp60 -89.44 -64.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.01 -60.04 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -71.11 -32.06 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.19 149.33 15.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.421 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -75.19 74.24 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -122.32 157.26 59.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.512 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.98 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.47 -15.06 25.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -88.63 -39.82 13.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 5.4 m-30 -50.26 -29.45 9.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.0 t -65.44 -18.34 65.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.3 t -92.34 -51.25 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.879 HG21 HG12 ' A' ' 44' ' ' ILE . 8.8 mt -56.0 -49.4 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.82 -48.65 20.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -68.83 -36.85 78.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -67.67 -30.77 70.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.841 HD12 ' HG2' ' A' ' 68' ' ' LYS . 3.8 mt -69.34 -52.9 22.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.65 -77.64 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -108.44 -13.75 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.841 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -48.71 156.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 73' ' ' VAL . 74.6 p -110.42 160.48 28.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -16.54 19.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.7 p -87.06 -38.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.38 -47.24 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 69' ' ' THR . 18.2 t -46.1 -38.6 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.567 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 22.5 t -69.13 -43.52 74.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -61.38 -33.56 73.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -76.8 -36.62 56.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.467 ' HA ' HD12 ' A' ' 80' ' ' LEU . 7.9 t80 -57.15 -48.23 79.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.87 -24.86 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 38.7 mt-10 -75.2 -47.84 26.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 77' ' ' PHE . 29.3 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -45.7 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.26 -52.06 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.18 85.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ARG . 59.6 m-20 -63.72 -47.92 79.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 12.3 mtp-105 -60.66 -45.7 93.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.9 t -45.4 -50.43 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.555 HG12 HG21 ' A' ' 61' ' ' ILE . 77.6 mt -55.07 -55.9 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 mt -50.47 -29.49 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.1 m -82.6 -55.63 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.384 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.426 ' HE2' HG12 ' A' ' 60' ' ' VAL . 88.7 mmm -60.05 -56.23 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.419 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 13.7 p -54.15 -21.6 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -87.85 -64.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -60.05 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.58 -32.02 67.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 105.6 145.95 13.87 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -68.36 76.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 0.806 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -122.53 157.29 59.6 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.1 Cg_endo -75.07 -3.84 14.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.19 -15.42 25.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.585 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.648 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.4 m -88.98 -36.37 15.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.442 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 8.8 m-30 -53.34 -26.09 17.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -77.62 -16.89 58.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.426 HG12 ' HE2' ' A' ' 47' ' ' MET . 15.9 t -88.28 -56.29 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.648 ' CD1' HG22 ' A' ' 57' ' ' THR . 4.1 mt -51.63 -40.31 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -46.25 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -71.74 -31.08 66.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -67.59 -46.16 73.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.701 HD12 ' HG2' ' A' ' 68' ' ' LYS . 3.7 mt -54.72 -48.98 71.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.76 -57.89 0.57 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -141.55 16.37 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.701 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -75.24 149.58 38.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.74 ' O ' HG23 ' A' ' 73' ' ' VAL . 3.0 p -101.03 162.03 21.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.83 19.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.94 -24.69 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -91.07 -46.32 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 69' ' ' THR . 88.6 t -52.96 -35.75 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.585 ' OG ' ' CE2' ' A' ' 58' ' ' PHE . 1.9 t -71.72 -43.34 66.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 66.5 m170 -66.39 -28.38 68.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.573 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -76.25 -36.32 58.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.9 -53.22 42.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -63.71 -21.68 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 4.1 mm-40 -76.0 -52.08 10.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.248 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -87.2 -62.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -39.01 -50.69 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.92 86.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' ARG . 6.7 t0 -62.63 -44.09 97.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 15.0 mtp-105 -62.65 -53.41 54.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 t -42.05 -50.01 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.785 ' CG1' HG21 ' A' ' 61' ' ' ILE . 62.4 mt -57.98 -54.83 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.438 HD21 HD13 ' A' ' 80' ' ' LEU . 36.3 mt -52.73 -25.64 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 m -85.98 -52.36 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.35 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.438 ' CE ' ' CG1' ' A' ' 60' ' ' VAL . 71.6 mmm -63.99 -55.59 21.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.415 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 14.0 p -53.75 -21.91 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -86.87 -64.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -60.08 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.4 -33.13 71.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 107.78 148.13 13.86 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.2 78.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -126.43 157.33 70.87 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.552 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.5 Cg_endo -74.92 -2.71 12.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.59 -16.38 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.565 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.675 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.2 m -87.59 -38.84 15.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 5.8 m-30 -51.56 -30.05 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 t -71.49 -17.24 62.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.438 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 15.5 t -92.28 -49.35 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.785 HG21 ' CG1' ' A' ' 44' ' ' ILE . 6.8 mt -59.22 -41.81 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -46.92 53.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.055 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -70.84 -35.33 72.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -63.3 -44.71 94.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.755 HD12 ' HG2' ' A' ' 68' ' ' LYS . 3.5 mt -54.05 -49.22 69.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.1 -56.87 0.56 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -146.11 19.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.755 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -75.4 154.49 37.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.9 p -97.1 157.63 34.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.4 20.85 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.87 -44.45 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.78 -44.56 73.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 44' ' ' ILE . 6.2 t -49.3 -42.19 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.546 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 7.5 t -70.51 -47.91 58.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.039 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -56.39 -27.24 55.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.645 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -76.43 -36.93 57.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -66.71 -53.4 33.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -57.44 -22.04 40.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 16.7 mm-40 -82.77 -51.04 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.438 HD13 HD21 ' A' ' 45' ' ' LEU . 33.7 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 41' ' ' ASP . 19.0 tpp85 -39.93 -65.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.875 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.1 mt-10 -39.93 -49.18 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.54 97.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.556 ' OD2' HD21 ' A' ' 80' ' ' LEU . 5.4 t0 -60.1 -51.51 69.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -63.31 -42.61 99.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 39' ' ' GLU . 18.9 t -47.59 -61.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.916 HG12 HG21 ' A' ' 61' ' ' ILE . 97.1 mt -45.43 -52.33 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.7 mt -53.63 -34.34 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' VAL . 56.3 m -78.14 -52.55 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.536 ' HE2' ' HG3' ' A' ' 51' ' ' GLN . 1.4 mtp -60.69 -57.31 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' ALA . 13.8 p -55.77 -20.35 14.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -86.69 -63.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 -60.06 3.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.536 ' HG3' ' HE2' ' A' ' 47' ' ' MET . 11.6 mm100 -70.04 -32.79 71.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.778 ' O ' HG21 ' A' ' 57' ' ' THR . . . 109.82 148.11 12.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -79.23 55.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.463 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -85.78 169.15 16.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.97 -40.85 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -75.7 -38.33 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.601 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.778 HG21 ' O ' ' A' ' 52' ' ' GLY . 1.2 m -44.73 -43.68 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 17.3 m-30 -50.46 -24.82 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.9 t -69.24 -17.71 63.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.5 t -83.53 -59.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.916 HG21 HG12 ' A' ' 44' ' ' ILE . 9.8 mt -51.37 -42.37 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -40.44 31.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -76.02 -37.61 58.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -62.77 -41.21 99.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.723 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.9 mt -55.68 -50.85 69.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.84 -57.25 0.59 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -141.79 17.79 2.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.723 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.91 148.48 31.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 p -99.14 163.22 19.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.365 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.85 18.46 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.7 p -78.5 -29.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.57 -41.26 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.52 -33.1 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.57 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 17.3 t -75.54 -16.34 60.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -91.46 -24.85 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.599 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -83.18 -32.82 26.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -72.2 -46.87 54.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -25.54 68.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.42 -48.21 15.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.556 HD21 ' OD2' ' A' ' 41' ' ' ASP . 74.9 mt . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -64.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.863 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -42.32 -51.12 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.56 96.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -44.08 93.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -69.31 -50.68 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 39' ' ' GLU . 54.3 t -42.99 -45.0 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.672 HG12 HG13 ' A' ' 73' ' ' VAL . 85.5 mt -54.03 -59.15 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 49' ' ' GLN . 47.5 mt -59.86 -47.25 86.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -53.72 -58.28 7.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.696 ' CE ' HG11 ' A' ' 60' ' ' VAL . 27.2 mmm -61.69 -50.51 72.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . 86.9 m -63.43 -14.68 53.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 34.7 tp60 -90.58 -64.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -60.15 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.468 ' HG3' ' CE ' ' A' ' 47' ' ' MET . 9.5 mm100 -73.49 -33.61 64.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' HG21 ' A' ' 57' ' ' THR . . . 112.53 149.77 10.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -76.0 57.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.404 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -82.29 169.3 18.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.97 -49.66 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -36.22 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.611 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.548 HG21 ' O ' ' A' ' 52' ' ' GLY . 1.3 m -45.28 -44.43 11.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 22.2 m-85 -50.73 -21.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -70.85 -16.38 62.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.696 HG11 ' CE ' ' A' ' 47' ' ' MET . 21.5 t -81.77 -72.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.491 HG21 ' CG1' ' A' ' 44' ' ' ILE . 2.5 mt -42.19 -47.38 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -42.4 -49.5 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -70.67 -38.86 73.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -57.55 -43.31 84.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.611 HD12 ' CG ' ' A' ' 68' ' ' LYS . 5.3 mt -57.07 -52.51 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.44 -71.78 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.83 5.44 8.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.611 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -62.76 162.36 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.3 p -115.14 163.02 21.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.57 20.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.414 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 5.8 p -80.1 -34.93 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.96 -42.63 19.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.672 HG13 HG12 ' A' ' 44' ' ' ILE . 44.5 t -53.24 -40.32 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.522 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 36.2 t -68.24 -37.29 80.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 71' ' ' VAL . 31.0 m170 -65.62 -32.45 74.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -78.46 -30.07 47.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.437 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 10.2 t80 -75.16 -44.16 48.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.939 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.21 -24.63 65.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.2 mm-40 -80.0 -43.72 21.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.4 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.9 tpt180 -39.39 -63.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.868 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -39.43 -54.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.3 96.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -61.12 -48.22 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -68.14 -51.95 40.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 39' ' ' GLU . 55.1 t -40.51 -43.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.42 HG12 HG21 ' A' ' 61' ' ' ILE . 73.0 mt -55.9 -63.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 55.5 mt -56.19 -43.97 78.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -52.34 -66.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.441 ' HE3' HG13 ' A' ' 60' ' ' VAL . 14.4 mmm -61.9 -41.95 98.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.408 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 95.9 m -63.26 -20.66 65.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 12.3 tp60 -88.89 -63.24 1.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -59.73 4.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -72.46 -30.29 64.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 106.09 157.43 21.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -81.24 81.3 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.97 157.21 72.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.473 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -75.06 -10.75 21.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.568 1.825 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -86.84 -15.14 40.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.578 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.8 m -87.06 -42.76 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 8.7 m-30 -47.9 -23.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -67.2 -29.71 69.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.946 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -86.82 -48.6 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.491 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 21.6 mt -51.09 -56.38 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.4 t -40.49 -50.08 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -50.1 62.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -53.74 -33.2 54.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.529 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.7 mt -60.64 -49.54 77.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.79 -60.9 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -144.08 17.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.529 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -71.04 -176.55 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.9 p -128.19 160.47 61.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -15.85 20.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.1 p -82.43 -45.45 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 75' ' ' HIS . 4.2 mm-40 -64.88 -50.0 68.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 69' ' ' THR . 38.2 t -44.05 -36.68 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -72.84 -42.28 63.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' GLU . 59.1 m170 -66.77 -31.08 71.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -77.88 -35.56 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.507 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 9.9 t80 -68.4 -51.45 43.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -24.43 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.46 -49.22 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.5 tpt180 -47.12 -62.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' ARG . 25.4 tt0 -37.91 -71.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.81 42.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.01 -42.69 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -74.58 -55.11 6.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 51.2 t -40.47 -47.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.445 HG12 HG21 ' A' ' 61' ' ' ILE . 7.3 mt -52.01 -60.7 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 37.3 mt -58.4 -47.11 84.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 m -52.4 -63.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 86.1 mmm -60.98 -44.67 97.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 94.2 m -63.51 -18.89 64.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.9 tp60 -89.86 -63.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -60.01 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -72.9 -31.13 64.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' CYS . . . 107.5 152.49 17.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.92 77.74 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.76 157.2 63.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.645 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.03 -6.81 18.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -90.87 -15.24 30.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.564 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.543 HG22 ' CD1' ' A' ' 61' ' ' ILE . 2.4 m -87.83 -40.03 14.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.645 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 7.3 m-30 -49.78 -30.76 10.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.4 t -64.8 -19.26 65.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.5 t -92.3 -50.47 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.543 ' CD1' HG22 ' A' ' 57' ' ' THR . 6.8 mt -61.46 -40.29 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.6 p -53.32 -36.16 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -81.61 -39.17 24.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.24 -39.59 87.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.798 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.0 mt -55.97 -50.43 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.24 -60.31 0.61 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -135.75 15.89 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 0.727 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.798 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -80.41 143.24 33.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.8 p -89.46 161.29 40.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.451 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -16.18 20.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.4 p -81.88 -30.19 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.439 ' CB ' ' HE2' ' A' ' 68' ' ' LYS . 5.0 mm-40 -77.54 -47.26 19.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.4 t -46.59 -35.97 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.508 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 5.1 t -76.98 -45.48 27.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -61.88 -35.13 77.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -74.89 -42.86 57.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.502 ' HA ' HD12 ' A' ' 80' ' ' LEU . 7.7 t80 -57.48 -52.39 65.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -61.6 -20.82 63.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.3 mm-40 -84.09 -39.4 19.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 77' ' ' PHE . 64.4 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -43.73 -60.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' ARG . 11.4 mt-10 -38.73 -64.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.04 -42.43 18.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 38' ' ' ARG . 5.7 m-20 -65.31 -47.7 75.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' VAL . 4.7 mmp_? -62.58 -57.11 12.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.5 t -40.48 -54.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.807 HG12 HG21 ' A' ' 61' ' ' ILE . 7.5 mt -45.46 -62.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.834 HD21 HD13 ' A' ' 80' ' ' LEU . 44.5 mt -57.13 -51.86 67.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.4 m -48.21 -65.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' GLN . 7.0 mmm -58.66 -53.04 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . 89.8 m -54.77 -21.07 9.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.6 tp-100 -90.54 -61.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -58.85 5.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' MET . 5.0 mt-30 -73.71 -31.28 63.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.556 ' O ' HG21 ' A' ' 57' ' ' THR . . . 107.71 145.02 11.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.49 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -75.77 57.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.452 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -83.4 168.98 18.96 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.452 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.96 -41.85 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -75.09 -37.6 61.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.579 ' O ' HG12 ' A' ' 60' ' ' VAL . 1.9 m -44.45 -45.67 9.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.369 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.407 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 22.4 m-85 -48.45 -22.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -68.85 -26.93 65.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 57' ' ' THR . 0.8 OUTLIER -79.95 -37.64 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.807 HG21 HG12 ' A' ' 44' ' ' ILE . 50.2 mt -71.11 -50.79 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.409 ' CB ' ' C ' ' A' ' 69' ' ' THR . 90.4 p -49.77 -34.97 20.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -83.14 -48.48 10.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -53.98 -32.16 53.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.691 HD12 ' HG2' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -66.32 -50.79 62.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.37 -72.42 0.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -112.76 -13.86 13.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.791 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.691 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -49.69 157.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.409 ' C ' ' CB ' ' A' ' 62' ' ' SER . 10.2 p -113.53 163.29 18.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -18.64 18.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.8 p -80.83 -38.26 16.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' HIS . 6.2 mm-40 -73.58 -52.88 11.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 t -40.73 -44.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.407 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 21.6 t -63.76 -46.83 83.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' GLU . 19.2 m-70 -56.53 -37.14 70.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.605 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -73.69 -40.59 63.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.514 ' HA ' HD12 ' A' ' 80' ' ' LEU . 5.9 t80 -64.13 -53.6 47.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -60.37 -24.38 65.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 7.0 mm-40 -78.59 -39.67 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.834 HD13 HD21 ' A' ' 45' ' ' LEU . 31.1 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.3 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -38.78 -63.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.9 mt-10 -38.31 -63.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.11 -41.0 11.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.2 m-20 -70.57 -38.34 74.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' GLU . 12.9 mmm180 -68.04 -56.91 7.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.425 ' CG1' ' SD ' ' A' ' 47' ' ' MET . 47.5 t -41.35 -42.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.1 mt -52.27 -68.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 mt -53.48 -43.13 67.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.5 m -50.92 -69.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.383 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' GLN . 8.9 mtp -62.21 -47.87 82.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 93.7 m -51.2 -23.58 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.28 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -89.45 -61.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.5 -59.79 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' MET . 26.8 mt-30 -72.98 -32.53 65.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 108.26 149.76 14.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.1 81.48 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.54 157.17 71.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.0 -8.26 19.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.83 -18.15 28.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.641 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.436 HG22 HD11 ' A' ' 61' ' ' ILE . 35.3 m -84.21 -42.91 15.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 10.6 m-30 -47.1 -23.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 t -66.37 -31.64 72.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -84.7 -48.83 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.494 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 7.5 mt -51.4 -53.61 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 t -43.95 -47.28 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -68.95 -47.93 64.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -55.31 -38.97 69.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.586 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.5 mt -54.6 -52.08 63.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.75 -64.28 0.45 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -139.23 14.29 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.586 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -64.71 -168.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.954 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.3 p -137.99 159.7 67.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.427 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.9 20.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.4 p -87.91 -39.11 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' HIS . 3.5 mm-40 -70.93 -52.0 22.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 69' ' ' THR . 97.4 t -40.87 -42.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 34.8 t -66.39 -45.39 80.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER -59.03 -27.28 65.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -82.8 -40.34 20.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.498 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 9.6 t80 -67.41 -46.54 72.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.3 -23.58 65.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.324 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 3.9 mm-40 -79.23 -45.82 19.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.63 HG22 ' HB3' ' A' ' 40' ' ' ALA . 12.2 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -86.63 -65.22 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -39.19 -60.06 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.63 ' HB3' HG22 ' A' ' 37' ' ' THR . . . -54.48 -41.86 70.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.234 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.3 m-20 -62.69 -40.2 96.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' LEU . 7.3 mtp180 -72.45 -49.62 32.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 t -43.23 -51.54 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 1.026 HG12 HG21 ' A' ' 61' ' ' ILE . 52.8 mt -52.71 -42.88 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.472 ' O ' ' CB ' ' A' ' 49' ' ' GLN . 43.9 mt -64.57 -38.41 90.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.3 m -71.34 -49.58 40.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.518 ' CE ' ' CG1' ' A' ' 60' ' ' VAL . 78.6 mmm -61.26 -59.52 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.469 ' HB2' ' HB2' ' A' ' 53' ' ' ALA . 13.7 p -56.39 -19.81 16.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 30.2 tt0 -83.2 -63.94 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.61 -59.98 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' MET . 7.3 mm100 -63.4 -33.41 75.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.47 118.56 3.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -45.95 109.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.743 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -139.66 164.14 40.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.68 12.63 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.522 1.801 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -42.6 9.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.665 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -42.57 -44.93 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 74' ' ' SER . 23.0 m-85 -47.56 -29.6 2.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -60.35 -17.97 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.518 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 28.7 t -88.51 -50.91 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.026 HG21 HG12 ' A' ' 44' ' ' ILE . 4.7 mt -57.44 -50.13 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.14 -45.38 16.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -72.26 -38.53 68.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.64 -26.39 66.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.827 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.8 mt -72.66 -52.64 14.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.47 -77.02 0.32 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.435 1.085 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.45 -17.18 13.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.827 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -45.17 156.33 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.714 ' O ' HG23 ' A' ' 73' ' ' VAL . 70.0 p -109.31 160.55 27.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.425 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -16.46 20.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.55 1.816 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 p -86.79 -32.69 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -76.9 -49.19 16.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 69' ' ' THR . 53.0 t -43.13 -42.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 16.7 t -63.38 -49.17 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -54.52 -27.76 40.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.575 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -81.17 -37.27 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.562 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 6.0 t80 -67.35 -44.39 79.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -68.22 -24.38 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.4 mm-40 -78.47 -49.24 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -53.53 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.2 tp10 -41.65 -61.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.58 -46.22 73.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.64 -51.95 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -64.26 -47.5 79.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 39' ' ' GLU . 25.1 t -41.58 -44.29 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.409 ' CD1' ' HG2' ' A' ' 76' ' ' ARG . 67.3 mt -53.63 -63.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLN . 44.2 mt -57.6 -49.19 77.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -47.79 -63.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.516 ' HE3' ' CG1' ' A' ' 60' ' ' VAL . 31.3 mmm -64.28 -38.85 92.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 58.4 m -64.64 -17.89 64.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' LEU . 17.0 tt0 -90.54 -65.04 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -60.01 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -73.62 -32.05 63.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 107.98 156.26 19.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -80.1 77.13 6.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.85 157.17 58.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.473 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -74.98 -11.37 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.803 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.13 -14.85 40.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.3 m -86.22 -42.89 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 10.4 m-30 -47.77 -23.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.2 t -67.21 -30.4 70.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.516 ' CG1' ' HE3' ' A' ' 47' ' ' MET . 0.3 OUTLIER -86.06 -48.71 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.496 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 32.1 mt -50.87 -49.8 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.97 -49.38 5.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -50.79 47.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -49.36 -39.33 31.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.64 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.0 mt -59.56 -51.34 70.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.86 -57.47 0.56 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -143.63 17.47 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.754 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.64 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -73.98 159.16 33.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.2 p -104.79 160.84 24.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.67 20.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -82.14 -45.4 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' HIS . 5.0 mm-40 -64.33 -48.73 74.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 69' ' ' THR . 55.9 t -51.34 -26.77 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.433 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 26.5 t -80.41 -28.78 37.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' GLU . 66.3 m-70 -81.76 -25.99 34.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HG2' ' CD1' ' A' ' 44' ' ' ILE . 12.2 tpt180 -77.65 -36.55 51.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.567 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 4.7 t80 -67.26 -51.56 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -63.27 -24.55 67.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.7 mm-40 -79.17 -49.23 12.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.7 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.602 HG23 ' H ' ' A' ' 40' ' ' ALA . 5.1 t . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' GLU . 2.5 tpt180 -57.68 -62.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.5 OUTLIER -38.48 -57.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.602 ' H ' HG23 ' A' ' 37' ' ' THR . . . -52.07 -46.89 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.23 -35.26 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -72.18 -43.38 64.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 39' ' ' GLU . 71.9 t -56.27 -61.24 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.611 HG12 HG21 ' A' ' 61' ' ' ILE . 81.2 mt -40.3 -41.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.52 -61.56 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -51.98 -49.21 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLN . 97.7 mmm -59.7 -63.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.5 p -55.22 -20.51 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -81.77 -65.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -59.35 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -66.04 -32.19 73.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.577 ' O ' HG21 ' A' ' 57' ' ' THR . . . 105.88 149.29 17.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.47 55.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -84.99 168.22 21.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.559 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -74.99 -44.52 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -70.13 -38.44 75.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.587 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.577 HG21 ' O ' ' A' ' 52' ' ' GLY . 1.2 m -45.31 -42.39 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.357 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 14.3 m-30 -51.98 -23.37 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.9 t -74.13 -16.74 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.9 t -84.12 -59.5 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.611 HG21 HG12 ' A' ' 44' ' ' ILE . 2.6 mp -52.13 -43.05 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.08 -38.48 3.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -82.58 -35.15 27.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -59.44 -53.8 53.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.664 HD12 ' CG ' ' A' ' 68' ' ' LYS . 4.5 mt -46.18 -49.3 17.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.2 -51.24 0.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.22 25.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.664 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.49 150.88 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.885 ' O ' HG23 ' A' ' 73' ' ' VAL . 14.5 p -92.4 161.02 33.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.53 20.18 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.0 p -86.57 -37.32 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.71 -45.74 50.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 69' ' ' THR . 99.2 t -53.0 -52.14 31.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.491 ' OG ' ' CE2' ' A' ' 58' ' ' PHE . 4.7 t -61.03 -41.51 96.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -59.43 -28.24 66.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -80.43 -38.38 30.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.07 -45.41 83.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 5.7 ppt_? -70.83 -28.98 65.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 36.5 mt-10 -73.33 -37.95 65.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 75.3 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.1 tpt180 -53.51 -60.21 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 43' ' ' VAL . 4.6 mt-10 -38.33 -66.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.19 -52.12 47.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -37.75 50.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' ARG . 23.5 mtm180 -76.05 -51.07 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 39' ' ' GLU . 72.4 t -41.57 -61.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.916 ' CG1' HG21 ' A' ' 61' ' ' ILE . 43.6 mt -45.9 -54.6 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.6 mt -50.28 -39.52 45.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.7 m -73.35 -52.54 13.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.379 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.439 ' CE ' ' CG1' ' A' ' 60' ' ' VAL . 91.9 mmm -61.69 -66.06 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.479 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 14.5 p -42.91 -33.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.344 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -70.17 -59.76 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -60.08 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -63.4 -35.5 80.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 88.9 47.69 4.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.421 1.076 . . . . 0.0 110.971 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . . . 42.15 63.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.08 169.75 17.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.87 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.82 -32.38 35.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.567 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -49.75 -39.4 37.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 74' ' ' SER . 29.7 m-85 -52.3 -23.99 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t -88.01 -18.75 28.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.439 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 41.2 t -75.09 -60.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.916 HG21 ' CG1' ' A' ' 44' ' ' ILE . 3.1 mt -55.44 -43.83 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.11 -43.03 20.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -76.49 -39.44 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -61.63 -28.15 69.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.687 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.9 mt -70.19 -49.1 53.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.13 -60.5 0.55 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -139.41 14.73 2.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.75 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.687 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -71.24 159.06 35.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.0 p -105.94 160.43 26.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -74.97 -16.28 20.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -86.73 -37.61 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.16 -39.37 68.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.1 t -61.09 -47.65 92.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.475 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 5.9 t -62.93 -26.04 68.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -78.15 -29.45 48.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.578 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -83.2 -32.57 26.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 9.7 t80 -72.08 -35.76 69.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -78.7 -23.07 45.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 2.6 mm-40 -78.82 -46.37 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.8 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 41' ' ' ASP . 1.5 tpt180 -45.86 -60.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -38.41 -52.91 1.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.2 76.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 38' ' ' ARG . 28.3 m-20 -63.1 -42.5 99.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -66.29 -60.99 2.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 t -40.96 -44.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mt -50.44 -59.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLN . 35.6 mt -59.3 -48.85 80.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.0 m -51.98 -60.99 2.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.472 ' CE ' HG11 ' A' ' 60' ' ' VAL . 36.3 mmm -62.54 -46.32 88.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.402 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 96.7 m -61.92 -19.48 62.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.1 tp60 -89.65 -64.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -59.31 5.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -73.16 -30.28 63.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 105.83 152.02 20.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.17 76.24 3.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.747 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.445 ' NE2' ' OG1' ' A' ' 57' ' ' THR . 2.0 pt20 -120.85 157.21 55.37 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.575 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.99 -11.18 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.57 -24.28 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.626 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.445 ' OG1' ' NE2' ' A' ' 54' ' ' GLN . 16.5 m -78.05 -38.45 44.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 10.8 m-30 -51.29 -27.59 9.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -70.34 -17.35 63.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.472 HG11 ' CE ' ' A' ' 47' ' ' MET . 16.1 t -92.27 -56.58 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.42 ' CG2' HD21 ' A' ' 65' ' ' LEU . 8.9 mt -51.3 -45.64 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.97 -55.51 6.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -63.29 -43.81 96.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -56.26 -41.25 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.65 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.3 mt -53.88 -53.1 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.72 -58.01 0.52 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.09 16.34 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.65 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -74.85 165.2 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.869 ' O ' HG23 ' A' ' 73' ' ' VAL . 71.9 p -116.8 160.67 35.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.368 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -15.59 20.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.3 p -82.74 -44.62 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.28 -47.63 55.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 69' ' ' THR . 69.7 t -48.96 -37.27 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.484 ' HG ' ' HE2' ' A' ' 58' ' ' PHE . 23.1 t -71.52 -39.58 70.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -65.15 -23.98 67.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -83.11 -37.9 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.501 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 5.8 t80 -66.81 -43.5 83.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -68.3 -24.81 64.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 16.4 mm-40 -79.73 -42.35 24.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.2 mt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' NE ' ' HD2' ' A' ' 42' ' ' ARG . 4.3 ttt180 -79.82 -68.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.57 -63.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.99 -46.72 33.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 42' ' ' ARG . 15.4 mtp-105 -66.99 -59.74 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.9 t -40.44 -46.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mt -51.15 -59.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 80' ' ' LEU . 72.3 mt -58.52 -48.36 81.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 m -53.52 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.15 -45.78 83.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.1 m -62.93 -20.4 65.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.294 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.0 tp60 -90.35 -63.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -59.94 4.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -73.51 -31.49 63.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.36 158.3 20.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.43 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -81.09 75.27 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -118.81 157.08 51.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.99 -11.37 21.49 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -86.05 -18.19 33.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.571 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.642 HG22 ' CD1' ' A' ' 61' ' ' ILE . 7.2 m -83.96 -38.01 21.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 6.6 m-30 -52.59 -24.72 8.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -74.54 -17.17 60.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 t -92.33 -53.13 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.642 ' CD1' HG22 ' A' ' 57' ' ' THR . 5.1 mt -59.2 -50.36 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.1 p -48.88 -39.38 25.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.028 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -78.21 -38.62 42.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.02 -30.47 71.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.758 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.8 mt -64.93 -52.18 57.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.68 -73.5 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -113.83 -11.84 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.758 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -52.73 160.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.759 ' O ' HG23 ' A' ' 73' ' ' VAL . 48.9 p -119.73 160.8 40.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -17.1 19.75 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.84 -23.53 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -91.0 -50.58 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 69' ' ' THR . 98.7 t -47.53 -34.43 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.549 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 28.8 t -66.64 -41.7 87.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -67.73 -23.17 65.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.582 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -78.58 -30.68 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.43 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 10.3 t80 -78.7 -51.77 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -25.31 65.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -78.56 -46.99 18.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.429 HD13 HD21 ' A' ' 45' ' ' LEU . 50.0 mt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 38' ' ' ARG . 1.9 t . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.45 ' N ' ' OG1' ' A' ' 37' ' ' THR . 2.6 ttm-85 -74.11 -56.63 4.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.648 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.1 tt0 -38.48 -61.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.29 -58.05 9.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -45.93 -36.84 5.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.4 -55.84 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.25 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 39' ' ' GLU . 88.7 t -45.3 -49.31 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.544 HG12 HG13 ' A' ' 73' ' ' VAL . 73.1 mt -46.13 -59.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 40.5 mt -59.87 -53.77 54.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.1 m -45.56 -59.72 2.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.3 mmm -65.32 -44.87 86.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ALA . 60.8 m -60.57 -17.08 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.1 tp60 -90.5 -63.64 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.56 -60.12 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -34.24 65.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.9 149.77 10.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.135 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.586 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.18 67.44 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.763 . . . . 0.0 109.342 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.509 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 1.2 pt20 -117.04 166.82 12.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.59 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.01 -44.09 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.407 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -54.98 -19.27 6.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.587 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -83.99 -45.46 13.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.59 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 10.7 m-30 -48.32 -26.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -63.98 -19.57 65.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.3 t -92.35 -56.77 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.46 HG21 HG12 ' A' ' 44' ' ' ILE . 12.4 mt -52.79 -47.8 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 p -48.03 -39.74 20.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -77.23 -42.02 38.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -59.52 -42.38 92.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.874 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.6 mt -51.2 -52.79 41.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.89 -62.76 0.57 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -132.11 19.47 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.874 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -86.78 147.16 25.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.6 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.0 p -95.19 163.35 22.02 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.53 20.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.19 -29.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.58 -44.14 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 69' ' ' THR . 88.8 t -51.94 -35.0 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.552 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 43.5 t -70.27 -51.16 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -55.99 -30.3 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -77.86 -38.65 45.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 6.4 t80 -68.58 -50.36 52.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -61.71 -24.59 66.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.4 mm-40 -78.11 -50.57 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -46.18 -62.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.813 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.2 mm-40 -39.45 -51.38 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.504 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -59.29 -43.98 92.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ARG . 13.5 m-20 -63.49 -39.4 94.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -71.26 -54.21 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 39' ' ' GLU . 69.1 t -40.52 -59.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.949 HG12 HG21 ' A' ' 61' ' ' ILE . 56.6 mt -46.17 -53.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 mt -52.52 -31.3 34.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' VAL . 89.8 m -81.78 -54.05 5.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.3 mmm -59.44 -53.4 58.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' ALA . 13.8 p -58.82 -18.18 30.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -90.18 -66.44 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.77 -60.07 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -73.24 -33.7 65.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 108.62 147.08 12.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.441 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -69.36 81.59 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.411 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 1.4 pt20 -127.45 157.21 73.58 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.548 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -75.1 -11.72 21.31 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -85.7 -17.19 36.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -85.19 -42.37 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 5.7 m-30 -48.81 -22.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -68.75 -27.85 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -88.06 -48.3 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.949 HG21 HG12 ' A' ' 44' ' ' ILE . 30.3 mt -51.13 -46.89 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -44.33 56.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -72.4 -43.84 63.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.224 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -57.99 -35.1 70.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.783 HD12 ' HG2' ' A' ' 68' ' ' LYS . 1.5 mt -70.45 -50.92 33.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.46 -72.38 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.1 -13.17 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.783 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -47.62 152.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.55 ' O ' HG23 ' A' ' 73' ' ' VAL . 72.7 p -107.74 160.58 26.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.89 19.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.4 p -86.79 -39.0 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 75' ' ' HIS . 4.9 mm-40 -73.63 -47.43 40.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 69' ' ' THR . 10.3 t -44.39 -43.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.502 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 7.3 t -65.47 -39.89 92.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' GLU . 33.2 m170 -62.87 -26.59 68.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.6 tpt180 -80.55 -35.25 34.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.245 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.441 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 11.5 t80 -72.81 -49.54 29.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -63.15 -23.91 67.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 6.5 mm-40 -80.04 -48.08 13.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 77.8 p . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -56.79 -61.19 2.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.82 -59.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -54.34 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.68 -38.17 31.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -75.36 -55.72 5.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.511 HG12 HG23 ' A' ' 61' ' ' ILE . 23.1 t -40.71 -43.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.2 mt -55.39 -60.03 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 49' ' ' GLN . 62.5 mt -59.46 -55.1 38.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -45.02 -63.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.516 ' HB2' HD11 ' A' ' 61' ' ' ILE . 86.1 mmm -58.15 -44.25 87.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.411 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 10.2 m -61.18 -21.01 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 17.4 tt0 -90.48 -61.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.87 -60.0 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -74.15 -29.65 61.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 106.4 154.07 20.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.477 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -79.33 72.21 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -118.29 157.37 49.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.539 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -74.98 -10.01 21.05 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -88.59 -15.01 36.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.5 m -89.24 -35.37 16.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.539 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 9.7 m-30 -52.76 -24.62 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -76.8 -17.1 59.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.21 -54.12 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 47' ' ' MET . 7.6 mt -56.93 -36.47 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -48.58 54.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -70.68 -39.82 73.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -55.29 -39.52 69.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.73 HD12 ' CG ' ' A' ' 68' ' ' LYS . 3.1 mt -59.29 -52.18 66.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.47 -51.44 0.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -147.02 19.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.787 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.73 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.26 153.39 28.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.493 ' OG1' HG12 ' A' ' 71' ' ' VAL . 11.1 p -106.48 162.73 18.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -16.85 19.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.493 HG12 ' OG1' ' A' ' 69' ' ' THR . 7.2 p -81.29 -25.23 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -91.43 -41.16 11.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.332 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.8 t -58.99 -30.7 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -73.14 -50.52 22.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.039 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 9.4 m170 -61.16 -27.5 68.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.567 ' NH2' HD21 ' A' ' 80' ' ' LEU . 5.4 tpt180 -79.7 -33.93 40.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.477 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 7.8 t80 -68.13 -49.08 63.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -68.05 -19.93 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.437 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 5.2 mm-40 -79.36 -50.47 10.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.567 HD21 ' NH2' ' A' ' 76' ' ' ARG . 77.4 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -54.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.21 167.92 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.95 -168.3 30.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -169.57 170.67 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 0.797 . . . . 0.0 109.957 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.71 160.89 0.12 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.55 113.76 0.52 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.36 159.86 15.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.78 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.53 167.77 30.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -166.61 170.81 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 3.3 mp 61.35 162.08 0.11 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.0 177.75 37.71 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 120.965 -2.514 . . . . 0.0 111.023 -0.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.78 169.38 10.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.76 149.05 1.89 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.12 170.53 8.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -88.75 170.3 10.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.36 174.05 6.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -122.64 144.41 49.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.5 p -103.26 149.07 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -106.65 141.77 37.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 108.273 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.2 175.42 4.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -116.54 165.23 13.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.84 154.43 41.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 88.2 p -52.74 150.19 5.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.015 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.7 p -46.2 127.06 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.28 117.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.017 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.35 81.81 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 t -146.05 157.9 43.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.22 -102.73 0.21 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 62.9 115.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 110.296 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -167.99 122.57 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.22 121.67 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 35' ' ' LEU . 7.7 p -159.86 -51.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' N ' HG13 ' A' ' 34' ' ' VAL . 0.5 OUTLIER -152.62 -71.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 15.3 m95 -71.99 126.58 30.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 108.003 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -85.69 144.05 28.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.417 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' ASP . 3.6 tpt180 -46.82 -62.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -39.34 -55.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.6 -43.72 62.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.9 m-20 -69.09 -37.24 78.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -66.36 -55.92 13.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.286 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.3 t -42.66 -45.36 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.561 HG12 HG13 ' A' ' 73' ' ' VAL . 48.9 mt -48.3 -61.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' GLN . 47.3 mt -55.91 -49.15 74.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.0 m -51.09 -61.96 1.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 110.399 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.471 ' HB2' HD11 ' A' ' 61' ' ' ILE . 97.4 mmm -61.13 -50.77 71.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 110.971 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ALA . 58.0 m -59.46 -17.67 33.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 108.299 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 45' ' ' LEU . 33.9 tt0 -90.5 -62.38 1.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.338 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -62.65 -59.99 4.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -33.72 65.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.513 ' O ' HG21 ' A' ' 57' ' ' THR . . . 111.7 146.25 10.26 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.586 1.179 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -74.92 58.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.762 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.459 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -83.97 169.35 17.33 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.95 -48.13 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.32 -36.33 76.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.513 HG21 ' O ' ' A' ' 52' ' ' GLY . 1.3 m -45.71 -43.72 13.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -51.82 -20.18 2.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 35.6 t -74.46 -16.37 60.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.041 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.436 ' CG1' ' HE2' ' A' ' 47' ' ' MET . 20.3 t -84.8 -63.67 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.547 1.154 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.621 ' CG2' HD21 ' A' ' 65' ' ' LEU . 4.0 mt -48.61 -51.42 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -40.25 -40.83 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.96 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -79.64 -40.05 30.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 61' ' ' ILE . 12.5 mm100 -59.36 -40.56 86.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.621 HD21 ' CG2' ' A' ' 61' ' ' ILE . 6.2 mt -54.46 -54.13 44.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 154.2 -64.17 0.34 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 111.03 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -141.51 19.1 2.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.568 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 0.4 OUTLIER -69.85 179.78 2.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.3 p -129.24 160.26 64.88 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.422 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -16.72 20.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.505 1.792 . . . . 0.0 111.006 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.9 p -83.8 -30.29 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -86.52 -46.46 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.338 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.561 HG13 HG12 ' A' ' 44' ' ' ILE . 10.7 t -49.39 -41.21 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.8 t -69.86 -44.22 70.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.033 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -33.51 66.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.588 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -78.12 -44.6 25.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.654 ' HA ' HD12 ' A' ' 80' ' ' LEU . 10.6 t80 -61.5 -48.01 83.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -24.9 67.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -83.04 -41.04 19.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 77' ' ' PHE . 36.7 mt -40.99 -70.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.525 ' HE2' ' O ' ' A' ' 77' ' ' PHE . 2.3 mpp? -48.97 -39.24 25.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.56 -42.01 98.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.81 -60.71 2.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.098 . . . . 0.0 109.254 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -45.92 -51.49 13.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.56 -65.6 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.597 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.455 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 22.6 m -54.6 -58.87 5.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . 69.26 -76.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 61.47 71.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 108.268 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.8 81.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.34 116.39 16.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.39 82.51 1.6 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -46.81 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.513 1.796 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.02 164.99 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.011 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 t -99.38 -59.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.98 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.43 4.99 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.792 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 p -164.66 168.96 17.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.02 179.84 38.7 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.04 169.72 0.93 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 0.762 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -175.72 170.63 2.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.67 148.27 5.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.02 175.58 2.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 109.341 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.95 156.01 11.68 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.51 79.5 0.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.557 HD23 ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -160.76 161.67 24.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.557 ' HA ' HD23 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.96 135.14 39.11 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.026 -0.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -173.02 65.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -175.5 126.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -142.36 88.34 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -174.72 -59.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 110.265 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 62.15 60.57 1.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.3 p -134.43 132.64 39.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.412 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.6 t -85.88 109.36 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.26 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 8.1 m -94.8 104.93 16.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.284 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.87 78.39 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -87.93 153.01 21.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -84.97 99.81 11.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 m 56.67 166.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.966 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.19 55.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 74.1 t -115.34 144.42 22.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 95.2 p -127.08 154.6 44.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t 174.43 137.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 5.0 m 61.18 153.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -154.98 -132.88 1.65 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.17 167.64 29.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.98 106.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.408 ' O ' HG13 ' A' ' 33' ' ' VAL . 6.0 p -107.82 107.38 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 34' ' ' VAL . 14.7 p -145.04 53.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -171.75 -53.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.554 ' CZ2' ' HD3' ' A' ' 68' ' ' LYS . 15.4 m95 -90.88 131.29 36.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 108.009 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.499 HG23 ' H ' ' A' ' 40' ' ' ALA . 10.0 t -100.95 148.82 24.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -40.63 -63.47 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.336 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 38' ' ' ARG . 3.5 mm-40 -37.67 -58.73 0.86 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.322 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.499 ' H ' HG23 ' A' ' 37' ' ' THR . . . -49.56 -45.06 47.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.5 m-20 -66.66 -37.24 84.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 5.4 mmm180 -67.47 -58.92 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -43.29 -40.37 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.453 HG12 HG21 ' A' ' 61' ' ' ILE . 3.9 mt -56.27 -58.32 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.728 HD21 HD13 ' A' ' 80' ' ' LEU . 35.7 mt -60.44 -55.92 27.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -48.07 -57.51 5.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 80.2 mmm -63.16 -46.4 87.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.402 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 64.2 m -61.49 -17.2 53.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 108.277 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 45' ' ' LEU . 31.7 tt0 -90.57 -64.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.24 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -57.04 -60.14 4.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -33.79 64.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 110.36 160.34 17.65 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.489 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -83.21 75.19 9.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.575 0.809 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.51 157.44 56.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.557 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.03 -8.1 19.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.58 -22.44 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.605 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.525 HG22 ' CD1' ' A' ' 61' ' ' ILE . 2.1 m -79.83 -40.1 29.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.432 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 7.1 m-30 -50.6 -29.69 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -67.4 -18.91 65.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.008 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.6 t -91.37 -55.16 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.253 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.525 ' CD1' HG22 ' A' ' 57' ' ' THR . 7.5 mt -56.81 -46.31 83.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 t -45.76 -35.84 4.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.977 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -85.09 -41.57 15.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -56.45 -34.68 67.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.818 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.6 mt -58.54 -50.61 73.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.38 -57.27 0.58 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.987 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -140.44 15.89 2.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.818 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.0 159.17 31.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.157 . . . . 0.0 109.268 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.779 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.7 p -106.54 163.11 17.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -16.01 20.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.467 1.772 . . . . 0.0 111.032 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 72' ' ' GLU . 9.0 p -83.7 -49.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.469 ' N ' HG13 ' A' ' 71' ' ' VAL . 8.5 mm-40 -58.41 -54.49 46.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 69' ' ' THR . 93.7 t -42.23 -50.23 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.557 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 17.6 t -59.18 -43.38 92.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -62.94 -31.84 73.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.626 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -77.39 -40.14 44.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.489 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 10.5 t80 -63.36 -49.18 74.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.087 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -24.5 65.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -79.64 -40.6 28.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.728 HD13 HD21 ' A' ' 45' ' ' LEU . 29.0 mt -43.91 -70.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.351 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.481 ' CE ' ' O ' ' A' ' 77' ' ' PHE . 2.3 mpp? -49.9 -40.35 42.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -60.83 -47.47 86.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.626 HD12 ' C ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -69.04 -38.62 79.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -64.47 -46.99 80.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -67.61 -64.31 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.636 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.8 m -89.64 121.74 32.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.412 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -155.62 115.24 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.76 112.35 0.38 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 108.315 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -102.55 105.16 15.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -145.73 -62.31 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.96 158.82 27.85 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.86 42.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.481 1.779 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t -133.7 109.65 9.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.015 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -121.12 149.31 42.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.042 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.125 . . . . 0.0 111.023 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -48.83 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.528 1.804 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.2 174.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.64 -177.62 43.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 p -159.17 151.65 21.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 110.008 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.67 159.62 4.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.89 -154.23 9.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -140.93 163.97 31.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.83 156.06 20.89 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.86 -59.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 1.2 mp -63.84 162.03 32.62 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.01 170.03 72.96 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.047 -2.48 . . . . 0.0 110.985 0.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -120.03 96.6 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.68 100.36 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.95 116.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -115.98 134.09 55.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -162.16 113.3 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.267 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.1 m -123.24 146.89 47.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.5 p -85.73 62.84 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.05 150.73 45.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 108.267 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.85 147.81 46.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -52.76 -55.59 21.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -169.07 -55.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.6 p -166.95 121.67 1.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.22 138.77 52.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.4 t -93.92 112.45 26.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.0 t -100.71 156.83 17.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.6 p -104.47 132.65 50.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.07 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.2 t -131.25 143.22 50.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -137.62 -116.89 1.53 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 68.24 142.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 0.762 . . . . 0.0 110.293 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.2 pttm -45.45 163.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 33' ' ' VAL . 12.2 p -159.16 107.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 34' ' ' VAL . 7.4 p -148.65 51.62 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.18 -64.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.549 ' CZ2' ' HD3' ' A' ' 68' ' ' LYS . 22.7 m95 -86.48 166.22 15.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 107.999 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t -128.46 176.19 7.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -74.65 -62.74 1.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 110.282 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.88 -65.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.13 -47.94 53.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.79 -43.69 77.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -69.61 -54.53 13.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.2 t -40.86 -55.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.879 HG12 HG21 ' A' ' 61' ' ' ILE . 18.1 mt -41.41 -57.23 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 49' ' ' GLN . 34.1 mt -59.13 -54.18 49.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.8 m -46.38 -60.83 2.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 110.368 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 59.7 mtp -63.13 -44.22 96.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 54.5 m -59.68 -20.74 58.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 108.283 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 45' ' ' LEU . 35.4 tp60 -89.44 -64.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.01 -60.04 4.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.315 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -71.11 -32.06 68.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.321 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.19 149.33 15.59 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.488 1.118 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.421 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -75.19 74.24 2.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -122.32 157.26 59.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.512 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.98 -3.23 13.62 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.47 -15.06 25.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.609 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.2 m -88.63 -39.82 13.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 5.4 m-30 -50.26 -29.45 9.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.0 t -65.44 -18.34 65.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 20.3 t -92.34 -51.25 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.879 HG21 HG12 ' A' ' 44' ' ' ILE . 8.8 mt -56.0 -49.4 75.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.82 -48.65 20.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 109.987 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -68.83 -36.85 78.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -67.67 -30.77 70.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.841 HD12 ' HG2' ' A' ' 68' ' ' LYS . 3.8 mt -69.34 -52.9 22.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.65 -77.64 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -108.44 -13.75 14.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.841 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -48.71 156.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 73' ' ' VAL . 74.6 p -110.42 160.48 28.32 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -16.54 19.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.7 p -87.06 -38.33 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -72.38 -47.24 50.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 69' ' ' THR . 18.2 t -46.1 -38.6 3.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.567 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 22.5 t -69.13 -43.52 74.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.988 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -61.38 -33.56 73.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.598 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -76.8 -36.62 56.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.602 ' O ' ' HE3' ' A' ' 81' ' ' MET . 7.9 t80 -57.15 -48.23 79.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.87 -24.86 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.328 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 82' ' ' GLN . 38.7 mt-10 -75.2 -47.84 26.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 77' ' ' PHE . 29.3 mt -44.49 -32.7 1.48 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.602 ' HE3' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -92.19 -28.23 17.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -68.81 -30.98 69.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.268 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 90.7 mt -71.28 -59.35 2.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -45.97 -53.81 9.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -46.46 -60.48 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.572 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.7 m -133.7 96.54 3.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 110.424 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.38 176.22 7.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.2 m -122.87 102.11 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 108.284 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -62.95 171.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 66.87 112.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 109.969 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 161.99 72.18 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 155.79 42.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.1 m -134.69 142.14 46.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 110.0 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.0 m -56.43 126.28 25.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.0 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 179.1 6.42 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 110.998 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.37 172.76 12.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.01 -164.73 10.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.18 166.25 33.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 0.751 . . . . 0.0 110.033 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.6 p -137.46 166.93 22.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.972 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.92 -178.21 15.23 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.73 142.07 19.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.537 0.786 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.04 -177.6 15.07 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.454 1.096 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.34 158.58 3.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER 61.85 162.1 0.11 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.53 ' HA ' HD23 ' A' ' 11' ' ' LEU . 18.0 Cg_endo -75.05 -176.39 18.0 Favored 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.97 0.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.31 119.1 18.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.84 132.3 3.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.0 p -156.93 147.0 20.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.41 166.76 22.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.9 111.24 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.9 p -88.27 118.95 28.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.4 t -132.27 108.51 13.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.9 p -179.62 164.58 1.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.075 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.93 109.32 2.25 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -177.56 133.0 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.348 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -179.44 164.31 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t -176.17 164.93 2.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.011 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.77 108.13 1.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -135.59 93.44 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.0 p -175.46 123.41 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.425 ' C ' HG22 ' A' ' 29' ' ' THR . 52.7 p -177.25 139.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.425 HG22 ' C ' ' A' ' 28' ' ' SER . 5.2 t 42.34 48.7 4.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.365 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -48.93 176.94 0.02 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -119.87 149.75 41.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 0.754 . . . . 0.0 110.266 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 ttpt 59.44 78.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.344 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.2 p -140.68 127.08 21.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 p -178.28 -45.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.24 -55.62 17.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.642 ' CZ3' HD11 ' A' ' 65' ' ' LEU . 6.9 m95 -89.83 152.47 21.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 108.03 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.3 m -88.89 136.88 32.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.384 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -45.7 -68.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.25 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.26 -52.06 2.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.18 85.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ARG . 59.6 m-20 -63.72 -47.92 79.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.434 ' HB3' ' NH1' ' A' ' 42' ' ' ARG . 12.3 mtp-105 -60.66 -45.7 93.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.9 t -45.4 -50.43 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.555 HG12 HG21 ' A' ' 61' ' ' ILE . 77.6 mt -55.07 -55.9 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 mt -50.47 -29.49 10.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.1 m -82.6 -55.63 4.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.384 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.426 ' HE2' HG12 ' A' ' 60' ' ' VAL . 88.7 mmm -60.05 -56.23 24.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.015 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.419 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 13.7 p -54.15 -21.6 9.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 108.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -87.85 -64.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -60.05 4.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.58 -32.02 67.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 105.6 145.95 13.87 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -68.36 76.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 0.806 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -122.53 157.29 59.6 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.62 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.1 Cg_endo -75.07 -3.84 14.51 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.472 1.775 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.19 -15.42 25.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.585 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.648 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.4 m -88.98 -36.37 15.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.442 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 8.8 m-30 -53.34 -26.09 17.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -77.62 -16.89 58.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.426 HG12 ' HE2' ' A' ' 47' ' ' MET . 15.9 t -88.28 -56.29 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.648 ' CD1' HG22 ' A' ' 57' ' ' THR . 4.1 mt -51.63 -40.31 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -46.25 39.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -71.74 -31.08 66.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -67.59 -46.16 73.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.701 HD12 ' HG2' ' A' ' 68' ' ' LYS . 3.7 mt -54.72 -48.98 71.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.76 -57.89 0.57 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -141.55 16.37 2.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.701 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -75.24 149.58 38.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.74 ' O ' HG23 ' A' ' 73' ' ' VAL . 3.0 p -101.03 162.03 21.85 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -16.83 19.88 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.544 1.813 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.94 -24.69 11.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -91.07 -46.32 8.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 69' ' ' THR . 88.6 t -52.96 -35.75 22.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.585 ' OG ' ' CE2' ' A' ' 58' ' ' PHE . 1.9 t -71.72 -43.34 66.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.961 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 66.5 m170 -66.39 -28.38 68.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.573 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.522 ' HD3' ' CG ' ' A' ' 36' ' ' TRP . 24.3 tpt180 -76.25 -36.32 58.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.138 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -65.9 -53.22 42.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -63.71 -21.68 66.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 4.1 mm-40 -76.0 -52.08 10.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 110.248 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.3 mt -43.92 -56.36 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -32.69 73.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -40.55 85.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.606 HD12 ' C ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -67.79 -40.31 83.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -53.07 -57.58 9.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -62.7 -61.43 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 109.564 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.9 m -101.57 77.76 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.38 174.49 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 53.13 79.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 108.299 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -134.36 93.55 3.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.08 105.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -105.93 157.41 16.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.118 . . . . 0.0 111.013 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 55.91 4.11 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.58 129.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 m -64.92 95.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.87 5.42 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 179.9 167.01 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.36 -127.26 1.19 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.95 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.82 155.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 0.74 . . . . 0.0 109.964 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.72 170.59 2.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.87 -166.26 12.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -175.39 175.83 2.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 0.735 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.97 152.49 6.72 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.93 150.87 1.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 0.792 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.792 HD12 ' CA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER 75.28 159.16 0.16 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.792 ' CA ' HD12 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.97 169.76 73.66 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.023 -0.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.6 156.03 38.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -179.34 135.47 0.12 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.51 147.71 42.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.019 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -112.89 72.41 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.67 165.01 4.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.485 ' O ' HG13 ' A' ' 19' ' ' VAL . 1.7 t -62.03 122.32 15.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.44 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.485 HG13 ' O ' ' A' ' 18' ' ' THR . 27.1 m -155.9 174.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.8 t -125.22 82.23 2.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 108.294 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.94 72.05 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 176.78 119.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.54 99.47 10.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.9 t -164.77 81.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.987 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.36 -61.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.523 HG21 HD11 ' A' ' 83' ' ' LEU . 9.6 p -153.3 113.11 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.7 t -60.29 -53.71 54.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.973 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.0 m -51.47 166.63 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.019 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -133.04 148.03 52.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -39.41 112.41 0.25 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -42.36 -57.69 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 0.799 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.12 126.39 2.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 p -109.35 133.7 53.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.4 p -174.58 -49.25 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.3 mt -84.67 -46.19 11.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.458 ' CZ2' ' HD3' ' A' ' 68' ' ' LYS . 17.0 m95 -105.55 156.36 18.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.559 1.162 . . . . 0.0 108.031 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 71.5 p -122.14 -166.99 1.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -87.2 -62.58 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -39.01 -50.69 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.0 -45.92 86.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 38' ' ' ARG . 6.7 t0 -62.63 -44.09 97.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 15.0 mtp-105 -62.65 -53.41 54.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 t -42.05 -50.01 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.785 ' CG1' HG21 ' A' ' 61' ' ' ILE . 62.4 mt -57.98 -54.83 26.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.438 HD21 HD13 ' A' ' 80' ' ' LEU . 36.3 mt -52.73 -25.64 11.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.1 m -85.98 -52.36 5.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.35 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.438 ' CE ' ' CG1' ' A' ' 60' ' ' VAL . 71.6 mmm -63.99 -55.59 21.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 111.017 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.415 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 14.0 p -53.75 -21.91 8.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -86.87 -64.75 1.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -60.08 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.4 -33.13 71.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 107.78 148.13 13.86 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.2 78.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.769 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -126.43 157.33 70.87 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.552 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.5 Cg_endo -74.92 -2.71 12.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.475 1.776 . . . . 0.0 111.039 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.59 -16.38 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.565 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.675 HG22 ' CD1' ' A' ' 61' ' ' ILE . 1.2 m -87.59 -38.84 15.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 5.8 m-30 -51.56 -30.05 19.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 t -71.49 -17.24 62.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.438 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 15.5 t -92.28 -49.35 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.785 HG21 ' CG1' ' A' ' 44' ' ' ILE . 6.8 mt -59.22 -41.81 85.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.99 -46.92 53.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.055 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -70.84 -35.33 72.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -63.3 -44.71 94.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.755 HD12 ' HG2' ' A' ' 68' ' ' LYS . 3.5 mt -54.05 -49.22 69.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.1 -56.87 0.56 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 111.026 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -146.11 19.47 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 109.34 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.755 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -75.4 154.49 37.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.9 p -97.1 157.63 34.65 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 110.417 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -15.4 20.85 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 111.056 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.87 -44.45 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.092 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.78 -44.56 73.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 44' ' ' ILE . 6.2 t -49.3 -42.19 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.546 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 7.5 t -70.51 -47.91 58.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.039 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -56.39 -27.24 55.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.645 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -76.43 -36.93 57.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.324 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.714 ' O ' ' HE3' ' A' ' 81' ' ' MET . 6.0 t80 -66.71 -53.4 33.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -57.44 -22.04 40.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.29 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 82' ' ' GLN . 16.7 mm-40 -82.77 -51.04 8.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 84' ' ' PHE . 33.7 mt -44.22 -34.86 2.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.714 ' HE3' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -87.08 -30.58 21.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 79' ' ' GLU . 0.8 OUTLIER -62.25 -42.01 98.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.612 HD12 ' C ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -68.31 -47.65 67.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 4.6 m-85 -54.32 -51.89 63.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.92 -61.27 2.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.628 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.1 m -42.49 -64.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 60.5 66.83 0.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.5 m -137.55 122.34 18.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 108.286 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.95 150.5 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.0 p -83.41 169.04 15.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -117.19 -173.59 16.63 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 179.42 6.08 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 0.0 111.075 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.8 m -100.33 -58.62 1.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.066 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.1 t -157.08 127.01 6.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.968 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 177.53 8.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.16 170.78 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.89 169.18 42.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.16 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.66 169.85 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 0.758 . . . . 0.0 110.017 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p 178.24 160.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.95 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.44 149.42 8.69 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.43 142.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.74 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -173.61 150.37 11.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.449 1.093 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -175.89 86.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.509 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.3 OUTLIER -163.08 160.7 18.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 -42.71 0.79 Allowed 'Cis proline' 0 C--N 1.36 1.182 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.007 0.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 172.89 -58.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.18 157.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 49.9 m -152.12 170.77 19.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -93.36 166.77 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.322 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.2 132.48 17.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.5 p -126.32 136.03 52.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.8 m -150.73 169.44 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 66.36 160.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.08 162.69 40.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.75 158.4 25.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -95.27 167.09 11.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.122 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.2 m -71.49 161.5 30.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.998 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.62 157.44 38.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.5 m -120.2 168.34 12.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.34 137.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.963 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.86 84.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.0 m -102.09 110.88 22.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.398 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.53 137.38 6.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.13 107.72 2.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.369 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -172.43 112.23 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.9 p -133.37 132.41 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.428 ' CG1' ' N ' ' A' ' 35' ' ' LEU . 0.7 OUTLIER -164.16 -44.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.428 ' N ' ' CG1' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -131.13 -48.77 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.738 ' CZ3' HD11 ' A' ' 65' ' ' LEU . 22.7 m95 -79.94 165.75 22.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.034 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.2 p -124.43 142.42 51.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 41' ' ' ASP . 19.0 tpp85 -39.93 -65.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.875 ' O ' HG23 ' A' ' 43' ' ' VAL . 3.1 mt-10 -39.93 -49.18 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.54 97.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.556 ' OD2' HD21 ' A' ' 80' ' ' LEU . 5.4 t0 -60.1 -51.51 69.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -63.31 -42.61 99.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 39' ' ' GLU . 18.9 t -47.59 -61.11 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.916 HG12 HG21 ' A' ' 61' ' ' ILE . 97.1 mt -45.43 -52.33 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.7 mt -53.63 -34.34 58.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 43' ' ' VAL . 56.3 m -78.14 -52.55 8.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.431 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.536 ' HE2' ' HG3' ' A' ' 51' ' ' GLN . 1.4 mtp -60.69 -57.31 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 53' ' ' ALA . 13.8 p -55.77 -20.35 14.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 108.304 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -86.69 -63.24 1.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 -60.06 3.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.536 ' HG3' ' HE2' ' A' ' 47' ' ' MET . 11.6 mm100 -70.04 -32.79 71.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.778 ' O ' HG21 ' A' ' 57' ' ' THR . . . 109.82 148.11 12.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -79.23 55.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.463 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -85.78 169.15 16.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.463 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.97 -40.85 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.446 1.761 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -75.7 -38.33 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.601 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.778 HG21 ' O ' ' A' ' 52' ' ' GLY . 1.2 m -44.73 -43.68 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.098 . . . . 0.0 110.429 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 17.3 m-30 -50.46 -24.82 3.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.9 t -69.24 -17.71 63.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.987 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 46.5 t -83.53 -59.81 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.916 HG21 HG12 ' A' ' 44' ' ' ILE . 9.8 mt -51.37 -42.37 27.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.03 -40.44 31.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -76.02 -37.61 58.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -62.77 -41.21 99.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.738 HD11 ' CZ3' ' A' ' 36' ' ' TRP . 2.9 mt -55.68 -50.85 69.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.84 -57.25 0.59 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -141.79 17.79 2.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 0.753 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.723 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.91 148.48 31.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.4 p -99.14 163.22 19.11 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 110.365 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -18.85 18.46 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.7 p -78.5 -29.9 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -83.57 -41.26 18.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.112 . . . . 0.0 110.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.652 HG22 ' HH2' ' A' ' 36' ' ' TRP . 41.8 t -60.52 -33.1 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.57 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 17.3 t -75.54 -16.34 60.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -91.46 -24.85 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.599 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.2 tpt180 -83.18 -32.82 26.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -72.2 -46.87 54.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -25.54 68.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.42 -48.21 15.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.718 ' HA ' HD12 ' A' ' 83' ' ' LEU . 74.9 mt -52.12 -56.32 15.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.555 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.2 mmt -62.27 -12.63 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.981 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.03 -51.61 6.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' ' 80' ' ' LEU . 2.1 mt -45.35 -62.53 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.448 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 33.7 m-85 -50.54 -51.63 46.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 110.978 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -42.25 -64.45 0.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.587 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.5 p -60.08 -55.2 36.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 84' ' ' PHE . . . 60.08 107.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 3.2 t -158.33 -62.66 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 108.292 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 63.1 157.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 110.272 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 t 58.16 74.43 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.39 -145.88 19.89 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.486 1.117 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -48.85 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 111.009 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.57 136.01 52.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.981 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.1 m -167.92 172.55 8.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.994 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -57.71 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.483 1.78 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.25 158.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.15 134.43 1.66 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.451 1.094 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t -166.1 113.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.0 159.24 42.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.59 155.52 8.99 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.44 176.32 7.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 109.335 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 150.73 158.24 8.18 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' LEU . . . -163.82 -62.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 0.739 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.518 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -40.47 159.54 0.14 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.03 -177.2 19.84 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 120.978 -2.509 . . . . 0.0 110.979 0.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -166.48 143.89 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -176.39 153.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.89 159.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -175.25 150.58 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -165.33 155.37 13.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.6 m -150.11 108.32 3.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 110.372 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -149.97 142.74 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.259 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.8 p -132.62 156.23 47.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 108.286 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.83 153.78 33.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 172.19 128.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -164.79 143.03 6.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.3 t -141.2 148.96 40.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.045 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -145.14 156.97 44.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.4 m -52.15 136.87 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.7 p -111.98 165.7 11.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m 58.55 171.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.3 m 53.83 101.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.417 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -171.11 -128.08 1.0 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -104.25 116.16 31.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 0.753 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.39 128.86 34.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.0 t 57.93 107.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -165.98 -43.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.38 -60.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.787 ' HZ3' HD11 ' A' ' 44' ' ' ILE . 11.9 m95 -94.91 159.0 15.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 107.992 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.7 p -95.13 -178.33 4.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -64.24 1.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.863 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -42.32 -51.12 4.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.56 96.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -44.08 93.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -69.31 -50.68 44.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.108 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 39' ' ' GLU . 54.3 t -42.99 -45.0 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.787 HD11 ' HZ3' ' A' ' 36' ' ' TRP . 85.5 mt -54.03 -59.15 2.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 49' ' ' GLN . 47.5 mt -59.86 -47.25 86.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -53.72 -58.28 7.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.696 ' CE ' HG11 ' A' ' 60' ' ' VAL . 27.2 mmm -61.69 -50.51 72.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . 86.9 m -63.43 -14.68 53.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 108.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 34.7 tp60 -90.58 -64.5 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -60.15 4.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.468 ' HG3' ' CE ' ' A' ' 47' ' ' MET . 9.5 mm100 -73.49 -33.61 64.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.548 ' O ' HG21 ' A' ' 57' ' ' THR . . . 112.53 149.77 10.89 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 48' ' ' CYS . . . -76.0 57.79 1.11 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.404 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -82.29 169.3 18.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.97 -49.66 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -36.22 76.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.611 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.548 HG21 ' O ' ' A' ' 52' ' ' GLY . 1.3 m -45.28 -44.43 11.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 22.2 m-85 -50.73 -21.03 1.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -70.85 -16.38 62.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.696 HG11 ' CE ' ' A' ' 47' ' ' MET . 21.5 t -81.77 -72.72 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.491 HG21 ' CG1' ' A' ' 44' ' ' ILE . 2.5 mt -42.19 -47.38 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -42.4 -49.5 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -70.67 -38.86 73.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -57.55 -43.31 84.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.611 HD12 ' CG ' ' A' ' 68' ' ' LYS . 5.3 mt -57.07 -52.51 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.44 -71.78 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.044 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.83 5.44 8.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.611 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -62.76 162.36 11.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.3 p -115.14 163.02 21.26 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.57 20.16 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.414 ' O ' ' CD2' ' A' ' 75' ' ' HIS . 5.8 p -80.1 -34.93 15.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -81.96 -42.63 19.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.672 HG13 HG12 ' A' ' 44' ' ' ILE . 44.5 t -53.24 -40.32 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.522 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 36.2 t -68.24 -37.29 80.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 71' ' ' VAL . 31.0 m170 -65.62 -32.45 74.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.42 ' HD3' ' CD2' ' A' ' 36' ' ' TRP . 19.5 tpt180 -78.46 -30.07 47.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.437 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 10.2 t80 -75.16 -44.16 48.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.939 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.21 -24.63 65.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.2 mm-40 -80.0 -43.72 21.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.4 mt -55.18 -56.28 21.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.549 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.4 mmt -62.75 -12.57 24.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.87 -59.43 2.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 8.3 mt -40.6 -60.93 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 85' ' ' HIS . 26.6 m-85 -48.45 -54.49 13.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 111.003 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -40.19 -65.16 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.617 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.1 p -132.68 112.94 12.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.395 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 83' ' ' LEU . . . -139.73 -75.25 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 68.51 80.11 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 108.272 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.93 115.31 29.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.9 p -138.2 108.43 6.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.961 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -147.89 96.39 0.17 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 167.35 27.25 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.446 1.761 . . . . 0.0 111.024 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t -135.13 150.54 50.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.7 m -176.98 93.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 110.951 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -179.05 4.6 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.462 1.769 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.05 168.66 19.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.41 -172.46 17.67 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.485 1.116 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.89 111.09 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 0.772 . . . . 0.0 110.043 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 p -96.44 171.78 8.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.012 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.15 -152.08 7.55 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.66 170.21 16.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 0.779 . . . . 0.0 109.263 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.36 -166.15 27.6 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -161.34 170.25 20.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 109.273 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.524 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER 65.87 162.11 0.13 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.524 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -74.98 143.7 78.62 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.977 -0.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.4 pttp -72.19 166.25 22.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.04 175.75 10.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 84.1 p -53.65 157.64 2.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -81.61 170.22 16.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -165.19 164.17 20.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.69 HG22 HG23 ' A' ' 19' ' ' VAL . 17.1 m 61.68 157.63 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.412 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.69 HG23 HG22 ' A' ' 18' ' ' THR . 54.1 t 63.28 152.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 70.05 -67.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' VAL . . . -92.61 78.12 4.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -123.71 -55.76 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -68.08 132.62 47.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.16 134.76 1.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.988 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.24 143.96 13.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 26' ' ' VAL . 7.1 p -82.63 118.79 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.77 -58.59 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.016 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m -76.79 163.22 27.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.989 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 29' ' ' THR . 8.9 t -115.76 114.47 24.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.424 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 45.46 61.87 3.47 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -167.35 143.23 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 0.771 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -123.82 161.28 25.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 36' ' ' TRP . 8.6 p -141.56 137.13 32.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 35' ' ' LEU . 7.3 p -173.03 -47.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' N ' HG13 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -87.0 -65.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.566 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 24.1 m95 -103.54 164.11 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 108.014 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.5 t -117.34 143.46 45.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.468 1.105 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' ASP . 2.9 tpt180 -39.39 -63.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.868 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -39.43 -54.11 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.3 96.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.2 OUTLIER -61.12 -48.22 82.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -68.14 -51.95 40.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 39' ' ' GLU . 55.1 t -40.51 -43.74 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.487 HD11 ' CZ3' ' A' ' 36' ' ' TRP . 73.0 mt -55.9 -63.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 55.5 mt -56.19 -43.97 78.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -52.34 -66.92 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.353 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.441 ' HE3' HG13 ' A' ' 60' ' ' VAL . 14.4 mmm -61.9 -41.95 98.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.408 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 95.9 m -63.26 -20.66 65.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 108.276 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 12.3 tp60 -88.89 -63.24 1.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.2 -59.73 4.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -72.46 -30.29 64.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 106.09 157.43 21.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.507 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -81.24 81.3 7.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.97 157.21 72.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.473 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -75.06 -10.75 21.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.568 1.825 . . . . 0.0 111.007 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -86.84 -15.14 40.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.578 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.8 m -87.06 -42.76 12.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 8.7 m-30 -47.9 -23.02 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -67.2 -29.71 69.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.946 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.491 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -86.82 -48.6 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.491 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 21.6 mt -51.09 -56.38 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.4 t -40.49 -50.08 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.031 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.09 -50.1 62.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -53.74 -33.2 54.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.529 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.7 mt -60.64 -49.54 77.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.79 -60.9 0.51 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.954 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -144.08 17.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 0.767 . . . . 0.0 109.34 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.566 ' HD3' ' CH2' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -71.04 -176.55 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 73' ' ' VAL . 1.9 p -128.19 160.47 61.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.357 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -15.85 20.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.783 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.1 p -82.43 -45.45 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 75' ' ' HIS . 4.2 mm-40 -64.88 -50.0 68.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 69' ' ' THR . 38.2 t -44.05 -36.68 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.7 t -72.84 -42.28 63.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.954 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' GLU . 59.1 m170 -66.77 -31.08 71.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.599 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.491 ' HD3' ' CE2' ' A' ' 36' ' ' TRP . 20.4 tpt180 -77.88 -35.56 50.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.507 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 9.9 t80 -68.4 -51.45 43.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -24.43 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -78.46 -49.22 13.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.3 mt -51.99 -54.43 29.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.553 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.5 mmt -61.97 -12.6 19.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.88 -50.71 6.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.269 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.649 HD12 ' C ' ' A' ' 83' ' ' LEU . 0.3 OUTLIER -50.97 -36.53 39.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.09 -52.18 31.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -58.02 -62.02 2.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.563 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.0 m -47.43 -59.43 3.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 110.388 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 58.81 98.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.0 p -163.19 147.99 11.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.281 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 58.5 95.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 p -164.63 125.81 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.995 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -95.23 -85.16 1.68 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 150.95 39.12 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.77 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.81 79.41 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.6 m 46.94 84.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.486 1.116 . . . . 0.0 110.989 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.34 7.38 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 p -117.18 170.54 8.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.49 156.8 25.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.2 165.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 109.986 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.67 162.76 21.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.44 -147.72 4.59 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.165 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.6 129.05 13.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.95 -91.82 0.3 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 111.061 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.0 150.65 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER 70.1 154.55 0.15 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.01 173.31 58.56 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.999 -2.5 . . . . 0.0 111.011 -0.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -60.8 158.16 13.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -123.44 175.0 7.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.6 p -159.17 161.86 36.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -154.03 170.34 21.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.74 171.97 10.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.92 126.58 12.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.431 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 98.9 t -127.31 77.72 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.1 t -49.41 127.51 15.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 108.288 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.65 78.34 0.22 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 -73.9 156.16 37.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -121.48 148.49 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.16 129.38 23.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.123 . . . . 0.0 110.037 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.74 171.94 11.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.2 p -117.85 147.96 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 89.3 p -154.91 124.17 6.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 110.015 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.3 t -170.16 128.64 0.88 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.0 t -155.59 59.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 110.423 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.83 159.24 8.25 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.517 1.136 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -134.79 155.99 49.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.41 135.61 11.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.4 p -133.68 144.46 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.6 p -178.04 -47.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.06 -76.13 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.565 ' CD1' ' HD3' ' A' ' 76' ' ' ARG . 69.0 m95 -78.45 159.13 28.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 108.008 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.7 t -124.52 160.08 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.43 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.5 tpt180 -47.12 -62.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 38' ' ' ARG . 25.4 tt0 -37.91 -71.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -48.93 -48.81 42.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.01 -42.69 60.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 38' ' ' ARG . 0.1 OUTLIER -74.58 -55.11 6.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 51.2 t -40.47 -47.7 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.445 HG12 HG21 ' A' ' 61' ' ' ILE . 7.3 mt -52.01 -60.7 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 37.3 mt -58.4 -47.11 84.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.1 m -52.4 -63.68 1.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 86.1 mmm -60.98 -44.67 97.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 52' ' ' GLY . 94.2 m -63.51 -18.89 64.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 108.303 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.9 tp60 -89.86 -63.2 1.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -60.01 4.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -72.9 -31.13 64.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' CYS . . . 107.5 152.49 17.84 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.531 1.144 . . . . 0.0 111.03 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.92 77.74 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.76 157.2 63.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.645 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.03 -6.81 18.51 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -90.87 -15.24 30.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.564 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.543 HG22 ' CD1' ' A' ' 61' ' ' ILE . 2.4 m -87.83 -40.03 14.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.645 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 7.3 m-30 -49.78 -30.76 10.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.4 t -64.8 -19.26 65.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.973 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.5 t -92.3 -50.47 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.543 ' CD1' HG22 ' A' ' 57' ' ' THR . 6.8 mt -61.46 -40.29 85.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.6 p -53.32 -36.16 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.994 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -81.61 -39.17 24.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.24 -39.59 87.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.798 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.0 mt -55.97 -50.43 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.24 -60.31 0.61 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -135.75 15.89 3.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 0.727 . . . . 0.0 109.352 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.798 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -80.41 143.24 33.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.8 p -89.46 161.29 40.05 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.451 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -16.18 20.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.511 1.795 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.4 p -81.88 -30.19 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.439 ' CB ' ' HE2' ' A' ' 68' ' ' LYS . 5.0 mm-40 -77.54 -47.26 19.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.306 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.4 t -46.59 -35.97 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.508 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 5.1 t -76.98 -45.48 27.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -61.88 -35.13 77.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.589 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.565 ' HD3' ' CD1' ' A' ' 36' ' ' TRP . 25.8 tpt180 -74.89 -42.86 57.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.821 ' O ' ' HE3' ' A' ' 81' ' ' MET . 7.7 t80 -57.48 -52.39 65.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.3 OUTLIER -61.6 -20.82 63.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.3 mm-40 -84.09 -39.4 19.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 84' ' ' PHE . 64.4 mt -51.08 -30.34 15.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.821 ' HE3' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -89.08 -31.17 18.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 111.032 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -73.45 -38.75 65.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 15.8 mt -60.92 -52.95 62.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 6.9 m-85 -47.28 -56.75 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.48 -62.94 1.14 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.412 1.07 . . . . 0.0 109.634 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.1 m -144.38 116.34 8.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.389 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 83' ' ' LEU . . . -137.13 -61.4 0.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.259 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 52.25 85.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -108.29 111.54 23.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.16 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.5 m -127.47 89.27 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 110.015 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -39.82 99.94 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 56.89 4.42 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.469 1.773 . . . . 0.0 111.003 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.93 109.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.981 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 p -69.21 133.62 48.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.43 38.25 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.503 1.791 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.42 171.17 14.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.33 -177.99 38.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.8 -57.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 0.794 . . . . 0.0 109.974 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m 63.13 146.56 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.66 -179.83 18.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -174.58 102.04 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 0.752 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.99 138.26 13.78 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.595 ' HB3' HD23 ' A' ' 11' ' ' LEU . . . -150.49 -53.9 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.604 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -101.65 160.99 24.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.504 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.01 178.87 32.78 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.957 -2.518 . . . . 0.0 111.021 -0.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -102.27 168.14 9.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -142.03 159.09 42.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.6 p -113.38 159.23 19.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.97 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.45 133.9 52.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.77 166.04 10.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.8 m 62.17 138.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.411 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.11 -44.97 99.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 45.27 68.44 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 108.364 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.57 138.48 5.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 59.69 168.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.589 ' O ' HG13 ' A' ' 26' ' ' VAL . 1.7 t-20 57.66 106.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.2 m -54.78 -58.52 7.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.3 105.16 15.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 23' ' ' ASN . 15.5 m -112.72 150.45 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.47 89.23 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.019 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.7 p -118.16 118.14 31.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.055 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 93.1 m -93.52 69.75 4.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.449 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.93 -134.8 5.37 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -127.65 61.11 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 110.274 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.69 43.81 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.405 HG13 HG23 ' A' ' 34' ' ' VAL . 9.6 p -130.28 147.1 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.405 HG23 HG13 ' A' ' 33' ' ' VAL . 10.0 t 72.2 -60.08 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mt -40.63 -50.73 3.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -116.66 131.51 56.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 107.996 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.6 t -101.87 153.06 20.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 110.404 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER -43.73 -60.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 38' ' ' ARG . 11.4 mt-10 -38.73 -64.24 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.04 -42.43 18.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 38' ' ' ARG . 5.7 m-20 -65.31 -47.7 75.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 43' ' ' VAL . 4.7 mmp_? -62.58 -57.11 12.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' ARG . 12.5 t -40.48 -54.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.807 HG12 HG21 ' A' ' 61' ' ' ILE . 7.5 mt -45.46 -62.63 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.834 HD21 HD13 ' A' ' 80' ' ' LEU . 44.5 mt -57.13 -51.86 67.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.4 m -48.21 -65.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' GLN . 7.0 mmm -58.66 -53.04 62.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' ALA . 89.8 m -54.77 -21.07 9.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 45' ' ' LEU . 2.6 tp-100 -90.54 -61.42 1.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -58.85 5.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' MET . 5.0 mt-30 -73.71 -31.28 63.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.556 ' O ' HG21 ' A' ' 57' ' ' THR . . . 107.71 145.02 11.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.49 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -75.77 57.73 1.04 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 0.802 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.452 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -83.4 168.98 18.96 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.452 ' HD2' ' CG ' ' A' ' 54' ' ' GLN . 18.4 Cg_endo -74.96 -41.85 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.508 1.794 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -75.09 -37.6 61.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 109.634 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.579 ' O ' HG12 ' A' ' 60' ' ' VAL . 1.9 m -44.45 -45.67 9.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.369 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.407 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 22.4 m-85 -48.45 -22.46 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -68.85 -26.93 65.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.579 HG12 ' O ' ' A' ' 57' ' ' THR . 0.8 OUTLIER -79.95 -37.64 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.807 HG21 HG12 ' A' ' 44' ' ' ILE . 50.2 mt -71.11 -50.79 39.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.409 ' CB ' ' C ' ' A' ' 69' ' ' THR . 90.4 p -49.77 -34.97 20.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.014 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -83.14 -48.48 10.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -53.98 -32.16 53.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.331 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.691 HD12 ' HG2' ' A' ' 68' ' ' LYS . 0.9 OUTLIER -66.32 -50.79 62.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.37 -72.42 0.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -112.76 -13.86 13.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.791 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.691 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -49.69 157.11 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.409 ' C ' ' CB ' ' A' ' 62' ' ' SER . 10.2 p -113.53 163.29 18.83 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.436 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -18.64 18.42 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.8 p -80.83 -38.26 16.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 75' ' ' HIS . 6.2 mm-40 -73.58 -52.88 11.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.6 t -40.73 -44.84 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.407 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 21.6 t -63.76 -46.83 83.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 72' ' ' GLU . 19.2 m-70 -56.53 -37.14 70.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.605 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -73.69 -40.59 63.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.514 ' HA ' HD12 ' A' ' 80' ' ' LEU . 5.9 t80 -64.13 -53.6 47.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -60.37 -24.38 65.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 7.0 mm-40 -78.59 -39.67 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.834 HD13 HD21 ' A' ' 45' ' ' LEU . 31.1 mt -53.76 -41.26 66.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.472 ' HE3' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -79.7 -32.51 41.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.48 -37.81 80.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.75 -59.45 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 19.5 m-85 -45.81 -54.79 7.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -43.22 -63.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.623 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.4 m -77.8 86.39 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.465 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -103.6 91.91 4.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 31.5 p -100.02 132.5 45.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.324 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.78 55.09 0.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 91' ' ' GLY . 32.9 m -63.18 134.24 55.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.985 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 90' ' ' SER . . . -36.82 97.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 90' ' ' SER . 18.2 Cg_endo -75.03 79.57 2.64 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.42 132.38 34.98 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.006 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.4 m -135.44 131.14 35.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -53.18 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.504 1.792 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 58.77 161.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.112 . . . . 0.0 110.04 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.35 -176.53 41.93 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.72 169.78 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 0.809 . . . . 0.0 109.965 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.2 p -170.17 169.52 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.36 -148.19 5.73 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -171.35 176.29 3.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.95 150.27 5.64 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 111.012 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -171.36 177.91 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 0.758 . . . . 0.0 109.271 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER 59.54 162.12 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.517 ' HA ' HD23 ' A' ' 11' ' ' LEU . 18.4 Cg_endo -74.98 172.78 61.29 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.993 -2.503 . . . . 0.0 111.003 -0.085 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 13.7 pttt -144.32 126.65 15.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . 176.84 132.66 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.3 t -176.75 164.65 2.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.029 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -178.66 113.21 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.576 1.173 . . . . 0.0 110.283 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.14 175.9 3.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.5 p -121.83 144.38 48.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.8 p -153.24 151.16 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.233 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.53 -61.93 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 108.306 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.67 87.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.51 151.67 21.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.8 m120 61.71 158.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.7 p -169.04 162.36 10.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.003 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.76 140.67 50.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -65.08 151.22 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 m 71.94 -61.16 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 t 61.5 102.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 m -73.23 120.45 18.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -93.02 174.93 36.13 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -132.85 139.51 47.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.79 175.64 5.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.574 ' O ' HG13 ' A' ' 33' ' ' VAL . 12.7 p -52.01 101.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 34' ' ' VAL . 8.9 p -136.82 61.38 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.8 mp 67.52 -71.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.573 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 33.2 m95 -72.04 129.9 39.65 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.3 m -89.64 145.48 25.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.406 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -38.78 -63.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.9 mt-10 -38.31 -63.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -46.11 -41.0 11.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' ARG . 1.2 m-20 -70.57 -38.34 74.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' GLU . 12.9 mmm180 -68.04 -56.91 7.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.425 ' CG1' ' SD ' ' A' ' 47' ' ' MET . 47.5 t -41.35 -42.24 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.1 mt -52.27 -68.99 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 mt -53.48 -43.13 67.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.5 m -50.92 -69.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.383 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 51' ' ' GLN . 8.9 mtp -62.21 -47.87 82.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.132 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 93.7 m -51.2 -23.58 3.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 108.28 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -89.45 -61.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.35 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.5 -59.79 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' MET . 26.8 mt-30 -72.98 -32.53 65.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 108.26 149.76 14.58 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.498 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.1 81.48 2.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.54 157.17 71.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.35 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.404 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.0 -8.26 19.91 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.83 -18.15 28.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.641 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.436 HG22 HD11 ' A' ' 61' ' ' ILE . 35.3 m -84.21 -42.91 15.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 74' ' ' SER . 10.6 m-30 -47.1 -23.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.4 t -66.37 -31.64 72.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.992 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -84.7 -48.83 16.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.494 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 7.5 mt -51.4 -53.61 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.4 t -43.95 -47.28 8.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -68.95 -47.93 64.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -55.31 -38.97 69.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.325 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.586 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.5 mt -54.6 -52.08 63.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 145.75 -64.28 0.45 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.5 p-10 -139.23 14.29 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.586 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -64.71 -168.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.954 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.3 p -137.99 159.7 67.43 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.093 . . . . 0.0 110.427 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.9 20.64 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.4 p -87.91 -39.11 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 75' ' ' HIS . 3.5 mm-40 -70.93 -52.0 22.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 69' ' ' THR . 97.4 t -40.87 -42.92 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 34.8 t -66.39 -45.39 80.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.6 OUTLIER -59.03 -27.28 65.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.616 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -82.8 -40.34 20.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.16 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.498 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 9.6 t80 -67.41 -46.54 72.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.412 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -67.3 -23.58 65.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 110.324 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 3.9 mm-40 -79.23 -45.82 19.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.6 mt -52.62 -55.85 19.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.551 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.9 mmt -62.03 -12.61 19.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -85.0 -55.3 4.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 6.3 mt -45.78 -61.43 1.72 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -47.92 -53.58 15.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -47.68 -63.85 0.95 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.566 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.4 m -145.2 117.4 8.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.399 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -136.45 147.71 47.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.95 162.72 16.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 108.268 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.69 -59.9 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.5 m -49.59 131.98 21.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -152.45 -167.81 15.8 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 171.11 18.96 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.799 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.0 t -176.74 162.48 2.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 109.993 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.3 p 41.02 90.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 110.025 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.141 . . . . 0.0 110.977 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -45.45 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.5 m 56.91 167.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.19 -169.9 12.66 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.7 m -135.37 170.55 15.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -84.03 169.7 14.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.54 -133.34 4.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.444 1.09 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -178.46 157.0 0.97 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.65 174.12 15.38 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -141.89 62.96 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 0.741 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.519 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 0.1 OUTLIER -152.1 162.08 27.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.01 -30.32 6.1 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.048 -2.48 . . . . 0.0 111.021 0.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.63 117.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.3 153.55 51.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.36 158.79 25.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -109.04 151.7 26.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.331 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.94 -58.73 1.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.7 m 60.5 146.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 110.394 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.7 p -167.92 144.09 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 68.5 154.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 108.306 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.26 160.2 40.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.2 165.35 11.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -117.33 176.94 4.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 53.3 p -120.42 151.18 39.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.973 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -150.88 168.98 22.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.4 t -150.73 102.35 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.5 t -145.29 135.9 24.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.026 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.9 t -48.96 161.91 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 47.4 p -127.71 -53.67 1.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.446 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 146.26 -64.26 0.44 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -72.03 156.33 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 0.787 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -91.96 168.45 11.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 33' ' ' VAL . 7.6 p -138.71 110.4 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -122.47 -46.31 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.46 -68.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 21.3 m95 -73.93 163.88 27.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 107.998 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.63 HG22 ' HB3' ' A' ' 40' ' ' ALA . 12.2 t -121.62 -175.01 2.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 110.388 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -86.63 -65.22 1.04 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -39.19 -60.06 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.63 ' HB3' HG22 ' A' ' 37' ' ' THR . . . -54.48 -41.86 70.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.234 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 38' ' ' ARG . 2.3 m-20 -62.69 -40.2 96.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' LEU . 7.3 mtp180 -72.45 -49.62 32.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 20.9 t -43.23 -51.54 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 1.026 HG12 HG21 ' A' ' 61' ' ' ILE . 52.8 mt -52.71 -42.88 42.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' O ' ' CB ' ' A' ' 49' ' ' GLN . 43.9 mt -64.57 -38.41 90.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.3 m -71.34 -49.58 40.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.39 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.518 ' CE ' ' CG1' ' A' ' 60' ' ' VAL . 78.6 mmm -61.26 -59.52 5.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.469 ' HB2' ' HB2' ' A' ' 53' ' ' ALA . 13.7 p -56.39 -19.81 16.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.472 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 30.2 tt0 -83.2 -63.94 1.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -68.61 -59.98 2.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' MET . 7.3 mm100 -63.4 -33.41 75.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 96.47 118.56 3.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.562 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -45.95 109.24 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.743 . . . . 0.0 109.253 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -139.66 164.14 40.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -24.68 12.63 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.522 1.801 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -42.6 9.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.665 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 m -42.57 -44.93 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.417 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 74' ' ' SER . 23.0 m-85 -47.56 -29.6 2.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.032 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.1 m -60.35 -17.97 46.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.518 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 28.7 t -88.51 -50.91 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.026 HG21 HG12 ' A' ' 44' ' ' ILE . 4.7 mt -57.44 -50.13 78.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.14 -45.38 16.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -72.26 -38.53 68.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -67.64 -26.39 66.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.827 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.8 mt -72.66 -52.64 14.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 139.47 -77.02 0.32 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.435 1.085 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -109.45 -17.18 13.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 109.353 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.827 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -45.17 156.33 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.714 ' O ' HG23 ' A' ' 73' ' ' VAL . 70.0 p -109.31 160.55 27.23 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.425 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -16.46 20.23 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.55 1.816 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 p -86.79 -32.69 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -76.9 -49.19 16.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 69' ' ' THR . 53.0 t -43.13 -42.33 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 16.7 t -63.38 -49.17 74.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 -54.52 -27.76 40.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.575 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -81.17 -37.27 29.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.562 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 6.0 t80 -67.35 -44.39 79.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -68.22 -24.38 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 4.4 mm-40 -78.47 -49.24 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.6 mt -51.39 -57.5 8.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.558 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.8 mmt -61.89 -12.61 18.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -75.47 -51.94 11.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.699 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 0.3 OUTLIER -62.87 -45.09 94.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.54 -48.18 81.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -62.28 -60.07 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.611 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -137.94 110.13 7.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 0.0 110.4 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 83' ' ' LEU . . . -121.33 -178.52 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -170.94 147.25 2.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 108.274 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -78.38 147.54 34.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 t -163.53 160.53 23.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.97 69.05 1.47 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -55.19 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 68.5 p -142.23 147.65 36.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 110.019 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.2 t -112.92 -58.76 2.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.015 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 179.39 6.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.98 -58.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.496 1.122 . . . . 0.0 110.028 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.84 -89.17 1.03 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.534 1.146 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.77 155.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 0.764 . . . . 0.0 109.995 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 178.48 169.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.54 -174.61 26.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.436 1.085 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -173.48 171.86 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 0.794 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -137.42 -162.33 9.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.499 ' C ' HD23 ' A' ' 11' ' ' LEU . . . -168.75 105.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.502 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.0 OUTLIER -154.51 160.78 30.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.0 -177.91 21.92 Favored 'Cis proline' 0 C--N 1.359 1.107 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.033 0.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.03 100.47 0.37 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -172.31 175.61 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.72 168.15 0.89 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -171.23 169.51 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.08 158.53 3.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -148.94 151.68 35.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.397 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 m -135.88 157.85 38.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.86 144.56 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.296 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.06 139.86 29.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 23.4 t30 -143.71 152.23 41.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -153.96 171.38 19.11 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.78 159.88 20.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 110.032 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.1 151.91 51.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.0 t 61.89 96.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.6 t -163.55 162.99 24.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.138 . . . . 0.0 109.988 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.8 147.54 38.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 t -60.31 131.61 51.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.365 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -107.56 108.21 2.74 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 62.14 167.41 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 0.763 . . . . 0.0 110.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.62 91.94 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 1.01 HG13 HG23 ' A' ' 34' ' ' VAL . 4.7 p -157.14 160.7 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 1.01 HG23 HG13 ' A' ' 33' ' ' VAL . 11.3 t 71.69 -62.75 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.368 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.2 tt -44.14 -51.57 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.907 ' CZ3' HD11 ' A' ' 44' ' ' ILE . 22.2 m95 -94.93 123.47 38.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 108.035 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.7 m -73.17 153.36 40.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.4 ttm180 -53.53 -64.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.666 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.2 tp10 -41.65 -61.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.58 -46.22 73.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.64 -51.95 65.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.145 . . . . 0.0 109.282 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.6 mtp85 -64.26 -47.5 79.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 39' ' ' GLU . 25.1 t -41.58 -44.29 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.907 HD11 ' CZ3' ' A' ' 36' ' ' TRP . 67.3 mt -53.63 -63.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 49' ' ' GLN . 44.2 mt -57.6 -49.19 77.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -47.79 -63.67 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.516 ' HE3' ' CG1' ' A' ' 60' ' ' VAL . 31.3 mmm -64.28 -38.85 92.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.986 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.406 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 58.4 m -64.64 -17.89 64.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 108.316 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' LEU . 17.0 tt0 -90.54 -65.04 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.17 -60.01 4.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -73.62 -32.05 63.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 107.98 156.26 19.05 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.567 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -80.1 77.13 6.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -121.85 157.17 58.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.322 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.473 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -74.98 -11.37 21.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.525 1.803 . . . . 0.0 110.95 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.13 -14.85 40.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.57 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.3 m -86.22 -42.89 13.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.473 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 10.4 m-30 -47.77 -23.03 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.2 t -67.21 -30.4 70.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.516 ' CG1' ' HE3' ' A' ' 47' ' ' MET . 0.3 OUTLIER -86.06 -48.71 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.496 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 32.1 mt -50.87 -49.8 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.97 -49.38 5.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -68.73 -50.79 47.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -49.36 -39.33 31.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.64 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.0 mt -59.56 -51.34 70.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.86 -57.47 0.56 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -143.63 17.47 1.83 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.754 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.64 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -73.98 159.16 33.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.2 p -104.79 160.84 24.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -15.67 20.48 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.6 p -82.14 -45.4 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' HIS . 5.0 mm-40 -64.33 -48.73 74.48 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 69' ' ' THR . 55.9 t -51.34 -26.77 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.433 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 26.5 t -80.41 -28.78 37.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' GLU . 66.3 m-70 -81.76 -25.99 34.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.494 ' HD3' ' CD2' ' A' ' 36' ' ' TRP . 12.2 tpt180 -77.65 -36.55 51.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.567 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 4.7 t80 -67.26 -51.56 51.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 111.019 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -63.27 -24.55 67.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.263 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.7 mm-40 -79.17 -49.23 12.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.7 mt -51.72 -55.22 20.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.543 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.9 mmt -61.98 -12.66 19.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 111.025 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -80.1 -46.86 15.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.589 HD12 ' C ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -55.7 -36.7 67.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -63.05 -45.1 93.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -62.95 1.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.62 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.6 m -110.25 114.77 28.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 110.4 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -126.73 158.22 37.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 10.9 p -140.68 102.04 4.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 108.333 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -46.69 141.85 3.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 110.258 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.97 106.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.989 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 62.28 97.24 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.486 1.116 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -51.22 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.444 1.76 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.59 163.75 27.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 m -161.62 -60.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -52.92 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 m -163.98 168.47 19.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.76 106.75 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 t -165.79 152.95 10.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.022 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.13 -58.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.71 153.86 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.954 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -176.37 163.56 2.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.19 -170.84 12.93 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.551 1.157 . . . . 0.0 110.985 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.07 60.1 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.749 . . . . 0.0 109.241 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.526 ' CB ' ' HA ' ' A' ' 12' ' ' PRO . 0.7 OUTLIER -112.09 162.05 23.1 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.14 . . . . 0.0 109.272 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.526 ' HA ' ' CB ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.02 -41.55 0.98 Allowed 'Cis proline' 0 C--N 1.36 1.166 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.019 0.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 7.3 pttm -99.68 -170.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 13' ' ' LYS . . . 177.44 115.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.8 p 62.3 169.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -159.49 166.54 30.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.45 -55.24 2.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.43 ' C ' HG23 ' A' ' 19' ' ' VAL . 98.0 m 63.29 -82.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.387 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.43 HG23 ' C ' ' A' ' 18' ' ' THR . 3.4 t 71.07 -68.15 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 70.87 172.86 0.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 108.271 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.33 154.5 34.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.167 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -143.79 144.87 31.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -108.39 116.85 32.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -61.77 -61.24 2.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.015 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' N ' ' OG ' ' A' ' 24' ' ' SER . 0.1 OUTLIER 63.18 171.43 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.2 t -117.1 -66.18 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.9 m 62.42 98.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.046 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 t -170.11 164.45 9.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.524 HG21 ' CB ' ' A' ' 90' ' ' SER . 17.7 m 63.49 112.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.37 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.24 119.54 1.98 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.449 1.093 . . . . 0.0 110.962 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -112.69 138.73 49.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.76 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.82 64.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 33' ' ' VAL . 12.9 p -127.28 116.03 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 51.3 t -140.27 -57.43 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -75.39 -55.89 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.569 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 13.7 m95 -80.05 170.94 15.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.602 HG23 ' H ' ' A' ' 40' ' ' ALA . 5.1 t -110.05 157.67 19.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.43 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 39' ' ' GLU . 2.5 tpt180 -57.68 -62.94 1.43 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.536 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.5 OUTLIER -38.48 -57.98 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.334 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.602 ' H ' HG23 ' A' ' 37' ' ' THR . . . -52.07 -46.89 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -63.23 -35.26 79.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -72.18 -43.38 64.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 39' ' ' GLU . 71.9 t -56.27 -61.24 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.611 HG12 HG21 ' A' ' 61' ' ' ILE . 81.2 mt -40.3 -41.78 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.52 -61.56 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -51.98 -49.21 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.43 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.433 ' O ' ' N ' ' A' ' 51' ' ' GLN . 97.7 mmm -59.7 -63.38 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 12.5 p -55.22 -20.51 10.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -81.77 -65.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.16 -59.35 3.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 47' ' ' MET . 0.0 OUTLIER -66.04 -32.19 73.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.577 ' O ' HG21 ' A' ' 57' ' ' THR . . . 105.88 149.29 17.56 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.47 55.1 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 55' ' ' PRO . 0.0 OUTLIER -84.99 168.22 21.93 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.559 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -74.99 -44.52 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.49 1.784 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -70.13 -38.44 75.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.587 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.577 HG21 ' O ' ' A' ' 52' ' ' GLY . 1.2 m -45.31 -42.39 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.357 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 55' ' ' PRO . 14.3 m-30 -51.98 -23.37 4.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.9 t -74.13 -16.74 61.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.9 t -84.12 -59.5 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.611 HG21 HG12 ' A' ' 44' ' ' ILE . 2.6 mp -52.13 -43.05 37.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -44.08 -38.48 3.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -82.58 -35.15 27.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 56.6 mm-40 -59.44 -53.8 53.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.664 HD12 ' CG ' ' A' ' 68' ' ' LYS . 4.5 mt -46.18 -49.3 17.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 146.2 -51.24 0.59 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.154 . . . . 0.0 111.043 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -154.22 25.86 0.47 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.297 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.664 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.49 150.88 32.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.885 ' O ' HG23 ' A' ' 73' ' ' VAL . 14.5 p -92.4 161.02 33.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.373 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.53 20.18 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.0 p -86.57 -37.32 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.71 -45.74 50.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 69' ' ' THR . 99.2 t -53.0 -52.14 31.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.491 ' OG ' ' CE2' ' A' ' 58' ' ' PHE . 4.7 t -61.03 -41.51 96.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.034 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -59.43 -28.24 66.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -80.43 -38.38 30.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -57.07 -45.41 83.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 5.7 ppt_? -70.83 -28.98 65.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 36.5 mt-10 -73.33 -37.95 65.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.6 -57.47 11.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.541 ' CE ' ' N ' ' A' ' 81' ' ' MET . 22.4 mmt -62.34 -12.5 21.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.417 ' O ' HG22 ' A' ' 86' ' ' THR . 16.9 tm0? -71.62 -54.88 8.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.6 mt -44.65 -59.76 2.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -58.21 -45.88 86.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 111.044 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -43.18 -65.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.581 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.6 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 2.3 t -69.35 -30.56 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.6 ' HB3' ' O ' ' A' ' 86' ' ' THR . . . 77.65 -65.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.462 ' CB ' ' O ' ' A' ' 87' ' ' ALA . 4.4 t 86.15 -72.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.22 89.01 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 110.253 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.524 ' CB ' HG21 ' A' ' 29' ' ' THR . 3.9 m -45.7 141.24 2.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.988 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 175.81 78.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.447 1.092 . . . . 0.0 111.016 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 74.98 3.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.501 1.79 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 21.0 p -88.78 161.28 16.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -166.55 -62.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.525 1.141 . . . . 0.0 110.972 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 179.58 5.94 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.764 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.5 169.5 15.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.9 -173.89 14.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.563 1.164 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.38 165.94 32.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 0.738 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.5 170.03 15.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.12 -145.1 4.13 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.84 167.14 5.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 0.784 . . . . 0.0 109.287 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.15 173.47 42.71 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -158.37 -60.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.537 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -43.61 156.25 0.29 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.4 Cg_endo -75.0 -174.18 13.66 Favored 'Cis proline' 0 C--N 1.359 1.115 0 C-N-CA 121.059 -2.476 . . . . 0.0 110.977 -0.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.1 107.32 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.41 153.98 11.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.93 123.21 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.01 140.07 16.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.46 154.89 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.0 m -119.67 143.76 47.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.7 m -134.72 170.89 18.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.1 p -72.33 136.51 46.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 108.344 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.9 -62.05 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -142.83 146.11 33.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -153.97 -54.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.3 t 65.26 147.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.051 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -158.38 150.06 21.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.3 m -53.54 156.79 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.2 140.24 48.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.46 108.57 17.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.8 p -44.34 146.37 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.429 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.38 -114.48 3.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 54.32 88.23 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.773 . . . . 0.0 110.26 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -86.25 86.65 7.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 p -153.9 109.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.2 p -140.39 45.96 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.38 -53.11 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 9.2 m95 -85.75 170.76 12.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 108.02 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 t -106.43 151.75 24.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 42' ' ' ARG . 2.1 tpt180 -53.51 -60.21 3.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.58 ' O ' HG23 ' A' ' 43' ' ' VAL . 4.6 mt-10 -38.33 -66.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.19 -52.12 47.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.46 -37.75 50.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 38' ' ' ARG . 23.5 mtm180 -76.05 -51.07 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 39' ' ' GLU . 72.4 t -41.57 -61.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.916 ' CG1' HG21 ' A' ' 61' ' ' ILE . 43.6 mt -45.9 -54.6 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.254 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.6 mt -50.28 -39.52 45.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.281 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.7 m -73.35 -52.54 13.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.379 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.439 ' CE ' ' CG1' ' A' ' 60' ' ' VAL . 91.9 mmm -61.69 -66.06 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.479 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 14.5 p -42.91 -33.95 0.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 108.344 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -70.17 -59.76 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -60.08 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -63.4 -35.5 80.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.479 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 88.9 47.69 4.11 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.421 1.076 . . . . 0.0 110.971 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . . . 42.15 63.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.08 169.75 17.37 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -40.87 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -80.82 -32.38 35.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.567 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.4 m -49.75 -39.4 37.51 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 74' ' ' SER . 29.7 m-85 -52.3 -23.99 6.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.945 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 t -88.01 -18.75 28.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.439 ' CG1' ' CE ' ' A' ' 47' ' ' MET . 41.2 t -75.09 -60.3 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.916 HG21 ' CG1' ' A' ' 44' ' ' ILE . 3.1 mt -55.44 -43.83 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.11 -43.03 20.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.035 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -76.49 -39.44 53.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -61.63 -28.15 69.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.687 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.9 mt -70.19 -49.1 53.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 141.13 -60.5 0.55 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -139.41 14.73 2.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 0.75 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.687 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -71.24 159.06 35.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.0 p -105.94 160.43 26.19 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.4 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -74.97 -16.28 20.35 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -86.73 -37.61 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.16 -39.37 68.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 5.1 t -61.09 -47.65 92.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.475 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 5.9 t -62.93 -26.04 68.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -78.15 -29.45 48.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.578 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -83.2 -32.57 26.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 53' ' ' ALA . 9.7 t80 -72.08 -35.76 69.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -78.7 -23.07 45.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 2.6 mm-40 -78.82 -46.37 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.8 mt -52.44 -57.26 10.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.552 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.5 mmt -62.01 -12.59 19.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.1 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -75.12 -55.8 5.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.52 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 4.3 mt -48.09 -61.18 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -46.23 -54.86 8.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -43.28 -66.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.567 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.0 p -141.13 108.29 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.378 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 83' ' ' LEU . . . -138.95 164.42 29.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -142.42 157.26 44.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 108.279 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.12 156.12 30.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.0 m -137.75 -53.85 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.998 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.11 157.6 12.18 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.47 2.89 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.956 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.33 -58.32 0.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.7 m -51.97 137.8 26.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -179.36 4.91 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.46 1.768 . . . . 0.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -172.47 156.47 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.2 177.68 42.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.496 1.123 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 p -178.64 167.55 1.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.974 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -169.36 168.14 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.049 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.05 -173.22 12.91 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.49 168.75 26.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.561 0.801 . . . . 0.0 109.303 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.13 -151.58 8.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.771 ' C ' HD23 ' A' ' 11' ' ' LEU . . . -159.57 100.1 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 0.741 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.771 HD23 ' C ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -164.45 153.87 11.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.2 Cg_endo -75.06 -172.2 10.45 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.99 -2.504 . . . . 0.0 110.977 0.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.89 100.67 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.18 179.34 6.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.29 169.62 22.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -115.92 163.17 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.45 175.51 9.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.3 t -147.96 162.23 39.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.375 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.4 m -133.53 167.62 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.23 160.71 20.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.295 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.4 174.26 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 69.0 m-20 -119.56 146.88 45.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -90.76 142.74 27.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.35 140.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -169.76 124.48 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.4 p -172.4 144.13 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.138 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.69 142.44 19.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.2 m -154.58 169.13 24.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.7 p -66.2 147.9 52.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -98.91 163.88 20.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.93 166.93 21.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 0.79 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.57 112.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 34' ' ' VAL . 5.6 p -170.96 133.52 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 33' ' ' VAL . 6.4 m -156.14 -52.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.112 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.61 -52.49 7.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.568 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 10.7 m95 -76.95 159.46 29.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.031 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.5 t -107.72 145.22 33.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.09 . . . . 0.0 110.401 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 41' ' ' ASP . 1.5 tpt180 -45.86 -60.86 2.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 110.334 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -38.41 -52.91 1.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.2 76.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 38' ' ' ARG . 28.3 m-20 -63.1 -42.5 99.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -66.29 -60.99 2.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.2 t -40.96 -44.8 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mt -50.44 -59.35 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 49' ' ' GLN . 35.6 mt -59.3 -48.85 80.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.0 m -51.98 -60.99 2.54 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 110.39 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.472 ' CE ' HG11 ' A' ' 60' ' ' VAL . 36.3 mmm -62.54 -46.32 88.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.402 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 96.7 m -61.92 -19.48 62.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 108.287 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.1 tp60 -89.65 -64.41 1.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -59.31 5.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -73.16 -30.28 63.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 105.83 152.02 20.08 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 110.955 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.501 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.17 76.24 3.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 0.747 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.445 ' NE2' ' OG1' ' A' ' 57' ' ' THR . 2.0 pt20 -120.85 157.21 55.37 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.575 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.99 -11.18 21.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 111.027 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.57 -24.28 27.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.626 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.445 ' OG1' ' NE2' ' A' ' 54' ' ' GLN . 16.5 m -78.05 -38.45 44.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 10.8 m-30 -51.29 -27.59 9.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 111.046 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -70.34 -17.35 63.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.472 HG11 ' CE ' ' A' ' 47' ' ' MET . 16.1 t -92.27 -56.58 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 109.236 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.42 ' CG2' HD21 ' A' ' 65' ' ' LEU . 8.9 mt -51.3 -45.64 32.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.97 -55.51 6.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -63.29 -43.81 96.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -56.26 -41.25 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.254 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.65 HD12 ' CG ' ' A' ' 68' ' ' LYS . 2.3 mt -53.88 -53.1 57.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.72 -58.01 0.52 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.478 1.111 . . . . 0.0 110.983 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.09 16.34 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 0.753 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.65 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -74.85 165.2 25.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.869 ' O ' HG23 ' A' ' 73' ' ' VAL . 71.9 p -116.8 160.67 35.8 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.368 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -15.59 20.48 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.3 p -82.74 -44.62 19.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -71.28 -47.63 55.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.275 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 69' ' ' THR . 69.7 t -48.96 -37.27 9.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.484 ' HG ' ' HE2' ' A' ' 58' ' ' PHE . 23.1 t -71.52 -39.58 70.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.013 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -65.15 -23.98 67.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -83.11 -37.9 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.501 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 5.8 t80 -66.81 -43.5 83.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -68.3 -24.81 64.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 16.4 mm-40 -79.73 -42.35 24.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.2 mt -56.28 -55.73 29.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.558 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.8 mmt -62.24 -12.61 21.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 29.6 tp60 -90.37 -51.91 5.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.303 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.652 HD12 ' C ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -52.41 -30.58 29.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.0 -49.64 42.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.85 -61.53 2.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.623 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.0 m -116.3 128.39 55.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 83' ' ' LEU . . . -149.12 -61.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.0 t 57.43 72.75 0.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 108.284 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 54.6 97.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.68 140.64 30.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 81.42 86.93 0.67 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.518 1.136 . . . . 0.0 111.042 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -46.24 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.17 149.98 28.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.016 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.65 123.16 36.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.045 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -179.7 5.25 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 111.029 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -131.56 166.67 20.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.054 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.27 -178.44 42.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.23 165.45 25.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 0.739 . . . . 0.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -176.46 164.04 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.57 167.04 12.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -137.11 -56.92 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 0.784 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.52 -171.16 20.92 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.142 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -120.47 -58.05 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.969 HD13 ' O ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -47.97 155.57 0.84 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.7 ' N ' HD22 ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.02 133.98 33.87 Favored 'Cis proline' 0 C--N 1.361 1.197 0 C-N-CA 120.984 -2.507 . . . . 0.0 111.007 0.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' N ' ' HA ' ' A' ' 11' ' ' LEU . 14.3 tttp -65.97 158.62 27.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -177.94 114.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.33 167.69 12.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -166.6 113.9 0.85 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.87 164.03 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 m -152.75 144.62 23.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.42 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.0 m -42.8 131.16 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.9 p -159.07 150.02 19.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 108.317 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.25 159.15 0.49 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -143.71 158.71 43.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m120 62.98 168.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 m -141.44 145.55 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.005 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 10.8 mtmt -98.6 144.69 27.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.7 t 64.7 139.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.6 p -150.42 149.86 30.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 91.1 p -179.19 104.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 21.4 p -91.98 -53.81 4.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 110.433 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.23 -128.34 8.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.541 1.15 . . . . 0.0 111.032 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -178.74 117.37 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.292 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -168.34 133.08 1.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.411 ' C ' HG23 ' A' ' 34' ' ' VAL . 11.7 p -164.91 127.44 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.411 HG23 ' C ' ' A' ' 33' ' ' VAL . 79.1 t -152.38 -55.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.746 HD12 ' CD1' ' A' ' 36' ' ' TRP . 1.1 tm? -87.41 -75.44 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.746 ' CD1' HD12 ' A' ' 35' ' ' LEU . 29.0 m95 -78.27 167.27 21.62 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -112.45 -167.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.47 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' NE ' ' HD2' ' A' ' 42' ' ' ARG . 4.3 ttt180 -79.82 -68.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 110.313 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.57 -63.48 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.99 -46.72 33.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.98 -42.81 94.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 15.4 mtp-105 -66.99 -59.74 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.9 t -40.44 -46.45 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.475 HD11 ' CZ3' ' A' ' 36' ' ' TRP . 48.4 mt -51.15 -59.33 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 80' ' ' LEU . 72.3 mt -58.52 -48.36 81.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 m -53.52 -64.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 110.419 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 90.1 mmm -57.15 -45.78 83.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 97.1 m -62.93 -20.4 65.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 108.294 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.0 tp60 -90.35 -63.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -59.94 4.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -73.51 -31.49 63.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.36 158.3 20.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.43 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -81.09 75.27 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 0.744 . . . . 0.0 109.29 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -118.81 157.08 51.09 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.609 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.99 -11.37 21.49 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -86.05 -18.19 33.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.571 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.642 HG22 ' CD1' ' A' ' 61' ' ' ILE . 7.2 m -83.96 -38.01 21.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.609 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 6.6 m-30 -52.59 -24.72 8.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -74.54 -17.17 60.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.0 t -92.33 -53.13 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.642 ' CD1' HG22 ' A' ' 57' ' ' THR . 5.1 mt -59.2 -50.36 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 91.1 p -48.88 -39.38 25.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 0.0 110.028 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -78.21 -38.62 42.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -65.02 -30.47 71.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.273 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.758 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.8 mt -64.93 -52.18 57.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 142.68 -73.5 0.36 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.54 1.15 . . . . 0.0 111.042 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -113.83 -11.84 12.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.299 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.758 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -52.73 160.15 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.759 ' O ' HG23 ' A' ' 73' ' ' VAL . 48.9 p -119.73 160.8 40.89 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.37 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -17.1 19.75 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.9 p -83.84 -23.53 7.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -91.0 -50.58 5.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 69' ' ' THR . 98.7 t -47.53 -34.43 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.549 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 28.8 t -66.64 -41.7 87.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -67.73 -23.17 65.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.582 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HD3' ' CE2' ' A' ' 36' ' ' TRP . 23.2 tpt180 -78.58 -30.68 46.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.43 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 10.3 t80 -78.7 -51.77 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -25.31 65.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -78.56 -46.99 18.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.429 HD13 HD21 ' A' ' 45' ' ' LEU . 50.0 mt -54.48 -53.49 53.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.556 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.4 mmt -62.68 -12.55 24.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 110.975 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -84.76 -46.88 10.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.867 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 91.1 mt -54.94 -55.74 27.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -62.81 -31.39 72.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.04 -64.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.59 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 3.6 m -134.26 -50.51 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.425 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.867 ' HB2' ' O ' ' A' ' 83' ' ' LEU . . . 67.3 127.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -121.28 136.63 54.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 108.306 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 60.06 73.44 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.359 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.79 -67.58 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.019 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.54 97.21 1.18 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 66.65 6.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.5 t 54.95 168.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.998 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.7 t 58.03 92.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.5 1.125 . . . . 0.0 111.034 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 142.0 27.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.473 1.775 . . . . 0.0 111.033 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 p -65.76 124.77 23.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.7 -59.63 1.24 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.37 120.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 0.783 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.52 ' HB3' HD21 ' A' ' 11' ' ' LEU . 14.8 m 56.66 165.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.046 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.14 -69.7 0.04 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.79 136.02 4.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 0.779 . . . . 0.0 109.256 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.36 -176.11 20.76 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.07 -63.92 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.269 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.797 HD12 ' CA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER -45.71 159.16 0.31 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.797 ' CA ' HD12 ' A' ' 11' ' ' LEU . 18.2 Cg_endo -74.97 143.23 77.16 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.0 -0.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.33 70.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.78 115.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.5 p -160.91 -57.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 64.56 122.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.69 175.62 7.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.2 t -139.46 163.72 31.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 110.435 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.8 p -145.49 158.03 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.1 t -174.57 94.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.36 -61.17 2.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t30 61.1 152.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -156.98 159.78 38.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.89 158.87 12.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.71 163.66 28.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.9 m -56.55 156.44 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.103 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.04 120.6 11.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.4 p -166.62 131.6 2.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.6 p -75.91 152.31 37.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.394 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.9 78.7 0.03 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -158.5 167.97 28.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.35 127.28 48.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 p -140.53 102.35 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 34' ' ' VAL . 12.4 p -143.7 51.78 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.722 HD12 ' CD1' ' A' ' 36' ' ' TRP . 0.6 OUTLIER -169.01 -71.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.722 ' CD1' HD12 ' A' ' 35' ' ' LEU . 25.3 m95 -82.58 151.03 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 38' ' ' ARG . 1.9 t -96.52 176.45 6.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.45 ' N ' ' OG1' ' A' ' 37' ' ' THR . 2.6 ttm-85 -74.11 -56.63 4.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.648 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.1 tt0 -38.48 -61.31 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.253 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.29 -58.05 9.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -45.93 -36.84 5.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.4 -55.84 5.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.25 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 39' ' ' GLU . 88.7 t -45.3 -49.31 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.544 HG12 HG13 ' A' ' 73' ' ' VAL . 73.1 mt -46.13 -59.64 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' GLN . 40.5 mt -59.87 -53.77 54.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.1 m -45.56 -59.72 2.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 110.428 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 66.3 mmm -65.32 -44.87 86.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 53' ' ' ALA . 60.8 m -60.57 -17.08 44.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 108.281 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 45' ' ' LEU . 3.1 tp60 -90.5 -63.64 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.56 -60.12 4.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.51 -34.24 65.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.9 149.77 10.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.515 1.135 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.586 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -76.18 67.44 2.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 0.763 . . . . 0.0 109.342 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.509 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 1.2 pt20 -117.04 166.82 12.03 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.59 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.01 -44.09 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.5 1.789 . . . . 0.0 110.998 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.407 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -54.98 -19.27 6.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.587 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -83.99 -45.46 13.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.437 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.59 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 10.7 m-30 -48.32 -26.37 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.988 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -63.98 -19.57 65.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 15.3 t -92.35 -56.77 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.46 HG21 HG12 ' A' ' 44' ' ' ILE . 12.4 mt -52.79 -47.8 50.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.5 p -48.03 -39.74 20.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.01 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -77.23 -42.02 38.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -59.52 -42.38 92.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.874 HD12 ' HG2' ' A' ' 68' ' ' LYS . 2.6 mt -51.2 -52.79 41.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 137.89 -62.76 0.57 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -132.11 19.47 4.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 0.789 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.874 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -86.78 147.16 25.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.6 ' O ' HG23 ' A' ' 73' ' ' VAL . 2.0 p -95.19 163.35 22.02 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -16.53 20.18 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.801 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.8 p -86.19 -29.56 6.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.58 -44.14 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 69' ' ' THR . 88.8 t -51.94 -35.0 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.552 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 43.5 t -70.27 -51.16 32.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -55.99 -30.3 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.579 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -77.86 -38.65 45.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.586 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 6.4 t80 -68.58 -50.36 52.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -61.71 -24.59 66.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 11.4 mm-40 -78.11 -50.57 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.3 mt -51.62 -55.92 16.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.554 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.9 mmt -61.84 -12.56 18.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.987 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -76.98 -58.02 3.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mt -43.45 -62.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -49.3 -55.59 12.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -51.78 -62.15 1.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.601 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.3 m -111.37 85.17 2.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.369 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.66 -62.12 1.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 1.8 t 76.97 -59.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 108.289 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 61.3 115.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.267 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 m -124.56 -58.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.001 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -177.01 75.53 0.07 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.442 1.089 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 117.67 4.99 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.517 1.798 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.7 t 48.61 89.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.133 . . . . 0.0 110.0 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.5 p -136.92 134.55 36.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.953 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.41 6.57 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.524 1.802 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.39 158.63 43.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.68 -154.75 6.22 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.983 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -74.75 90.4 2.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 0.748 . . . . 0.0 110.01 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -61.25 172.49 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.998 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.94 98.78 2.56 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -107.85 157.27 18.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 153.0 -167.44 31.71 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.11 74.83 1.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 0.796 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.532 ' HA ' ' C ' ' A' ' 12' ' ' PRO . 0.5 OUTLIER -171.13 155.54 4.4 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 11' ' ' LEU . 18.1 Cg_endo -75.02 153.56 99.2 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.008 -2.496 . . . . 0.0 110.995 -0.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -52.71 113.81 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -122.93 107.87 12.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 95.8 p -146.31 146.02 30.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.033 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 63.38 122.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.81 141.37 21.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.9 m -123.25 129.71 51.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.415 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -149.18 153.42 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.19 161.53 14.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.83 163.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -137.22 -54.06 0.69 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -47.05 157.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.2 t -178.83 136.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.039 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.41 105.3 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.3 p -159.45 135.2 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.4 t -96.55 -60.86 1.52 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 82.8 p 49.51 95.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.4 m -109.22 145.23 36.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.411 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.62 -120.79 6.72 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.5 1.125 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 60.88 107.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 0.769 . . . . 0.0 110.275 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -73.11 159.17 33.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.1 p -162.47 114.62 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 34' ' ' VAL . 13.0 p -163.96 54.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 35' ' ' LEU . 1.1 mt -168.4 -54.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.569 ' CH2' ' HD3' ' A' ' 68' ' ' LYS . 7.1 m95 -91.91 150.45 21.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 107.985 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 m -93.93 134.47 36.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -46.18 -62.59 1.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.313 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.813 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.2 mm-40 -39.45 -51.38 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.504 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -59.29 -43.98 92.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 38' ' ' ARG . 13.5 m-20 -63.49 -39.4 94.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -71.26 -54.21 11.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 39' ' ' GLU . 69.1 t -40.52 -59.64 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.949 HG12 HG21 ' A' ' 61' ' ' ILE . 56.6 mt -46.17 -53.44 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 mt -52.52 -31.3 34.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.435 ' N ' ' O ' ' A' ' 43' ' ' VAL . 89.8 m -81.78 -54.05 5.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.421 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . . . . . . . . . 13.3 mmm -59.44 -53.4 58.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 53' ' ' ALA . 13.8 p -58.82 -18.18 30.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -90.18 -66.44 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.77 -60.07 3.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -73.24 -33.7 65.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.313 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 108.62 147.08 12.33 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.442 1.089 . . . . 0.0 110.979 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.441 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -69.36 81.59 0.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 0.742 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.411 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 1.4 pt20 -127.45 157.21 73.58 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.548 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -75.1 -11.72 21.31 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.463 1.77 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -85.7 -17.19 36.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -85.19 -42.37 14.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 5.7 m-30 -48.81 -22.31 0.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.9 t -68.75 -27.85 66.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -88.06 -48.3 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.949 HG21 HG12 ' A' ' 44' ' ' ILE . 30.3 mt -51.13 -46.89 32.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -44.33 56.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -72.4 -43.84 63.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.224 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -57.99 -35.1 70.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.783 HD12 ' HG2' ' A' ' 68' ' ' LYS . 1.5 mt -70.45 -50.92 33.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 138.46 -72.38 0.44 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.49 1.119 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.1 -13.17 13.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.783 ' HG2' HD12 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -47.62 152.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.55 ' O ' HG23 ' A' ' 73' ' ' VAL . 72.7 p -107.74 160.58 26.2 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.392 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.89 19.92 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.482 1.78 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.4 p -86.79 -39.0 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 75' ' ' HIS . 4.9 mm-40 -73.63 -47.43 40.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 69' ' ' THR . 10.3 t -44.39 -43.72 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.502 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 7.3 t -65.47 -39.89 92.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.979 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' GLU . 33.2 m170 -62.87 -26.59 68.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.473 ' HD3' ' CD2' ' A' ' 36' ' ' TRP . 23.6 tpt180 -80.55 -35.25 34.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.245 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.441 ' CZ ' ' HB1' ' A' ' 53' ' ' ALA . 11.5 t80 -72.81 -49.54 29.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -63.15 -23.91 67.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 78' ' ' ARG . 6.5 mm-40 -80.04 -48.08 13.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.0 mt -52.18 -56.26 15.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.549 ' CE ' ' N ' ' A' ' 81' ' ' MET . 21.4 mmt -61.93 -12.52 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -79.8 -54.97 5.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.8 mt -45.07 -62.3 1.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -47.29 -50.75 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -46.67 -62.97 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.5 m -150.58 108.64 3.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.399 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -142.2 172.5 12.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 177.18 77.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 108.318 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -136.39 164.72 27.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -164.67 159.62 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.027 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.98 157.71 21.33 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 159.41 41.46 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.458 1.767 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.7 p -166.98 156.24 10.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 30.5 m 62.83 -94.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.963 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.92 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 177.13 9.01 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 p -149.36 166.49 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.954 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.3 -125.16 4.34 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.513 1.133 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m 62.13 134.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -169.57 101.56 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.036 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.98 162.3 29.82 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.23 164.88 36.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 0.748 . . . . 0.0 109.283 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -124.66 149.31 16.94 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.8 142.35 17.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.81 HD13 ' HA ' ' A' ' 12' ' ' PRO . 0.2 OUTLIER 63.6 148.11 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.81 ' HA ' HD13 ' A' ' 11' ' ' LEU . 18.3 Cg_endo -75.02 163.62 90.29 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.013 -2.495 . . . . 0.0 111.045 -0.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -103.92 -72.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -125.68 157.59 36.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.15 -56.37 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.977 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 62.17 169.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.8 172.97 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.3 p -146.97 165.12 30.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.7 t -123.06 119.53 58.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.0 p -124.9 164.36 20.24 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 108.247 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.14 108.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 174.86 98.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.24 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -175.0 -56.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.6 p -50.41 137.32 19.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.018 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -177.18 -63.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.0 p -73.67 158.0 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.23 141.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.2 t -177.99 139.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.005 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -160.01 140.67 12.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.36 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 147.65 140.6 3.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -140.83 100.28 3.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 110.288 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 61.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.5 t -131.45 83.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.701 HG12 ' O ' ' A' ' 34' ' ' VAL . 56.0 t -116.85 57.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' HA ' HD22 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -164.91 -75.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.54 ' CB ' ' NH1' ' A' ' 76' ' ' ARG . 17.6 m95 -72.84 158.19 36.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 107.983 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 77.8 p -99.69 163.59 12.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.353 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 ttm-85 -56.79 -61.19 2.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.362 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -39.82 -59.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.288 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -54.34 46.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.68 -38.17 31.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -75.36 -55.72 5.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.095 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.511 HG12 HG23 ' A' ' 61' ' ' ILE . 23.1 t -40.71 -43.17 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.466 HD11 ' CZ3' ' A' ' 36' ' ' TRP . 44.2 mt -55.39 -60.03 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 49' ' ' GLN . 62.5 mt -59.46 -55.1 38.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m -45.02 -63.17 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.371 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.516 ' HB2' HD11 ' A' ' 61' ' ' ILE . 86.1 mmm -58.15 -44.25 87.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.411 ' O ' ' CA ' ' A' ' 52' ' ' GLY . 10.2 m -61.18 -21.01 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.301 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' LEU . 17.4 tt0 -90.48 -61.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.87 -60.0 4.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -74.15 -29.65 61.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 48' ' ' CYS . . . 106.4 154.07 20.45 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.149 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.477 ' HB1' ' CZ ' ' A' ' 77' ' ' PHE . . . -79.33 72.21 5.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 0.779 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -118.29 157.37 49.29 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.539 ' HA ' ' CD2' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -74.98 -10.01 21.05 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -88.59 -15.01 36.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.599 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.5 m -89.24 -35.37 16.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.539 ' CD2' ' HA ' ' A' ' 55' ' ' PRO . 9.7 m-30 -52.76 -24.62 9.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -76.8 -17.1 59.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 16.4 t -88.21 -54.12 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 47' ' ' MET . 7.6 mt -56.93 -36.47 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.2 -48.58 54.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -70.68 -39.82 73.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.26 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.8 mm-40 -55.29 -39.52 69.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.73 HD12 ' CG ' ' A' ' 68' ' ' LYS . 3.1 mt -59.29 -52.18 66.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 143.47 -51.44 0.65 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.499 1.124 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -147.02 19.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.787 . . . . 0.0 109.281 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.73 ' CG ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -80.26 153.39 28.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.493 ' OG1' HG12 ' A' ' 71' ' ' VAL . 11.1 p -106.48 162.73 18.76 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.385 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -16.85 19.96 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.529 1.805 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.493 HG12 ' OG1' ' A' ' 69' ' ' THR . 7.2 p -81.29 -25.23 10.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -91.43 -41.16 11.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 0.0 110.332 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.8 t -58.99 -30.7 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 t -73.14 -50.52 22.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.039 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.437 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 9.4 m170 -61.16 -27.5 68.45 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.605 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.567 ' NH2' HD21 ' A' ' 80' ' ' LEU . 5.4 tpt180 -79.7 -33.93 40.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.654 ' O ' ' HE3' ' A' ' 81' ' ' MET . 7.8 t80 -68.13 -49.08 63.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -68.05 -19.93 64.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 82' ' ' GLN . 5.2 mm-40 -79.36 -50.47 10.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 84' ' ' PHE . 77.4 mt -44.42 -33.5 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.654 ' HE3' ' O ' ' A' ' 77' ' ' PHE . 0.0 OUTLIER -91.58 -28.06 17.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 79' ' ' GLU . 40.7 tp60 -68.35 -32.3 72.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.59 HD12 ' C ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -75.62 -39.32 58.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.598 ' CD2' ' O ' ' A' ' 80' ' ' LEU . 5.9 m-85 -64.72 -51.1 64.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -45.66 -61.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.584 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 16.8 m -132.3 113.42 13.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -115.08 153.38 30.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 7.4 p -153.66 165.84 34.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 108.283 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 62.0 135.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 95.3 p -164.56 96.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 170.0 170.83 34.87 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 154.65 42.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.5 p -155.85 123.57 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.098 . . . . 0.0 109.996 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 63.7 m -84.52 163.61 19.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.024 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.975 179.986 . . . . . . . . 0 0 . 1 stop_ save_