data_1du2_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 1du2 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 13' ' ' MET . 4.3 tt0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -52.91 -27.82 20.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 54' ' ' GLU . 9.5 tt0 -65.86 -28.06 68.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.435 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -59.99 -32.37 70.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 13' ' ' MET . 18.2 t0 -85.7 -26.05 26.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.4 -39.53 28.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.82 -14.8 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.584 HD21 ' N ' ' A' ' 18' ' ' VAL . 1.4 t30 -84.01 -63.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.584 ' N ' HD21 ' A' ' 17' ' ' ASN . 20.4 t -63.77 -13.73 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.52 -29.01 58.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -84.93 -27.56 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.35 -78.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.82 163.47 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.07 -1.29 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.439 ' C ' HG13 ' A' ' 40' ' ' VAL . . . 104.33 42.64 1.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 111.05 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.561 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -117.55 -79.0 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.18 -33.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -60.82 2.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.482 ' CG ' ' HG3' ' A' ' 46' ' ' GLU . 22.2 ptmt -177.43 118.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -33.75 -37.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 71.96 -61.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 47.1 p90 -117.2 23.81 11.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.432 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 17.8 t-20 63.75 64.05 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.79 146.95 73.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 -176.38 2.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.1 t -67.53 57.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.8 OUTLIER -149.14 156.12 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.452 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -112.43 -31.99 6.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.08 -13.19 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.485 ' CB ' HG21 ' A' ' 36' ' ' ILE . . . -97.01 -22.92 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.561 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 1.0 OUTLIER -67.94 -33.45 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.74 -37.93 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -65.6 -30.41 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 10.8 mm-40 -90.73 -78.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.162 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.48 101.25 2.04 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.247 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.57 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.4 Cg_endo -74.99 131.07 13.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -59.14 -55.86 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.625 ' CE1' HD21 ' A' ' 48' ' ' LEU . 34.6 p-80 -42.78 -47.9 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.576 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.625 HD21 ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -45.12 -29.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.3 ptm180 -58.37 -39.58 79.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -101.93 -28.34 12.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -70.5 -25.87 63.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 26.4 t80 -102.19 -37.42 8.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -92.82 1.4 57.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.6 OUTLIER -33.41 -37.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' ARG . 15.0 mmt85 -39.44 -31.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.448 ' O ' ' CD ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -174.06 69.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.8 tt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.8 t -128.49 -44.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.1 m -61.0 -37.06 81.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' A' ' 54' ' ' GLU . 14.2 tt0 -66.37 -27.36 67.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttt -61.41 -37.67 84.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.77 -26.0 40.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.581 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.0 -39.25 30.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.63 -14.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.677 HD21 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -85.35 -62.84 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.372 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.677 ' N ' HD21 ' A' ' 17' ' ' ASN . 91.9 t -64.98 -11.69 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 4.1 p-10 -44.39 -45.0 8.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.448 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 3.1 tt -57.39 -39.82 76.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -41.04 -51.65 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.43 -152.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.65 125.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -160.79 52.82 0.34 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.573 1.171 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.517 ' HA ' HG22 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -118.51 -36.37 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 0.726 . . . . 0.0 109.363 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 65' ' ' ASN . . . -38.5 -34.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.67 70.39 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -146.25 18.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HA ' ' CG ' ' A' ' 33' ' ' MET . 1.7 pm0 -79.25 1.18 25.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.85 -34.98 9.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.618 ' CE1' ' HB3' ' A' ' 33' ' ' MET . 12.6 p90 -99.41 27.37 5.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.405 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 15.0 t-20 57.34 63.54 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.618 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.84 134.06 61.13 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.07 176.45 9.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 p -69.08 56.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.522 HG21 ' N ' ' A' ' 37' ' ' ALA . 58.7 mt -145.1 161.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.522 ' N ' HG21 ' A' ' 36' ' ' ILE . . . -104.18 -32.03 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.42 ' N ' HG21 ' A' ' 36' ' ' ILE . 8.9 tt0 -64.75 -47.77 77.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HA ' ' CD ' ' A' ' 42' ' ' ARG . . . -58.01 -22.16 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -75.0 -32.53 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.08 -37.54 15.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.401 1.063 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.483 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 2.0 ptm180 -68.0 -36.05 79.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 3.2 mm-40 -82.88 -72.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.42 109.58 2.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.592 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.3 Cg_endo -74.96 132.92 16.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 49' ' ' ARG . 3.1 tp10 -57.45 -66.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.609 ' CE1' HD23 ' A' ' 48' ' ' LEU . 41.3 p-80 -36.19 -54.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.552 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.609 HD23 ' CE1' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -38.5 -33.17 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 46' ' ' GLU . 7.0 ptm180 -50.9 -44.35 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 30.6 t -99.26 -29.56 12.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.581 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.5 m-90 -68.76 -22.1 64.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.005 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 25.1 t80 -98.15 -45.88 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.7 ttp180 -86.92 3.13 46.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -34.42 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.2 ttm180 -79.31 108.72 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.1 mt 66.39 63.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.1 tp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 65' ' ' ASN . 74.7 t -113.55 -99.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.427 ' CG2' ' CG ' ' A' ' 54' ' ' GLU . 1.8 m -74.09 -63.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -54.09 -22.51 11.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -33.85 76.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.069 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.44 -28.88 62.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -85.98 -41.1 15.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.388 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.75 -16.22 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.595 HD21 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -81.65 -58.51 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.595 ' N ' HD21 ' A' ' 17' ' ' ASN . 28.3 t -67.25 -9.81 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -55.93 -19.07 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -92.26 -18.73 23.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HB3' ' CG1' ' A' ' 18' ' ' VAL . . . -39.06 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.569 1.168 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.26 -163.05 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -163.87 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -121.54 53.67 0.7 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.499 ' CG1' HG22 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -118.3 -39.54 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.395 0.703 . . . . 0.0 109.347 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -38.27 -43.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.551 ' CD1' HG21 ' A' ' 64' ' ' VAL . 1.3 t80 -135.69 61.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.528 ' CD ' ' O ' ' A' ' 44' ' ' GLN . 1.3 tpmp? -145.77 23.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.496 ' HA ' ' CG ' ' A' ' 33' ' ' MET . 0.1 OUTLIER -87.11 1.77 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -52.52 -42.59 64.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 110.22 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.597 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 9.6 p90 -88.74 25.08 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.2 t30 59.81 63.37 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.587 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -79.36 125.6 82.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -75.01 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 m -67.2 58.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.6 OUTLIER -145.38 164.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -120.24 -32.45 4.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.45 -11.31 57.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.21 -21.8 15.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.093 . . . . 0.0 109.253 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.499 HG22 ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -68.78 -34.37 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.473 ' CG ' ' HG3' ' A' ' 45' ' ' PRO . 2.0 tt0 -86.4 -38.3 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -59.79 -34.46 73.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -90.62 -77.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.235 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.528 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 1.1 tt0 -161.14 99.99 1.27 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.473 ' HG3' ' CG ' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -75.02 134.59 17.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -58.46 -63.76 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.246 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.646 ' CE1' HD23 ' A' ' 48' ' ' LEU . 27.5 p-80 -37.93 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.646 HD23 ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -70.65 -55.08 9.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 2.6 ptm180 -44.9 -36.95 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.3 m -85.3 -35.59 21.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.596 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -71.66 -7.91 50.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -108.2 -36.77 6.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.7 ttp180 -98.82 1.06 45.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -37.81 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -71.48 71.89 0.69 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 tt 71.63 104.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.551 HG21 ' CD1' ' A' ' 27' ' ' PHE . 92.1 t -87.62 -107.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.449 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 7.7 t-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.467 ' CG2' ' CD ' ' A' ' 54' ' ' GLU . 2.1 m -60.81 -50.14 74.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.401 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 18.2 tt0 -69.47 -16.92 63.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -36.27 68.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -69.24 -30.12 68.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.587 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -84.07 -37.15 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER -64.04 -12.42 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.701 HD21 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -86.95 -63.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.701 ' N ' HD21 ' A' ' 17' ' ' ASN . 65.9 t -54.59 -19.99 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -57.36 -25.31 59.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -20.28 27.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.8 -68.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.24 -166.31 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.64 -144.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.467 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -124.04 50.47 0.85 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.547 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -120.92 -80.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.372 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.25 -22.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.98 -58.47 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 30' ' ' ARG . 5.9 tttt -176.1 111.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -33.64 -34.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 68.27 -60.25 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 46.7 p90 -119.27 25.96 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.457 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 18.2 t30 62.94 62.94 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -76.88 142.83 69.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.51 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.05 -175.91 2.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.75 57.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 34' ' ' PRO . 1.1 mt -148.78 154.74 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.459 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -113.18 -30.88 6.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -67.19 -13.09 61.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.478 ' CB ' HG21 ' A' ' 36' ' ' ILE . . . -98.71 -22.68 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.547 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -68.44 -32.14 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.2 -38.67 14.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -65.66 -31.02 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 3.6 mm-40 -88.73 -78.1 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 110.27 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.23 98.16 2.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.576 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.1 Cg_endo -75.1 131.75 14.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' ARG . 1.5 tt0 -59.02 -56.21 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.631 ' CE1' HD22 ' A' ' 48' ' ' LEU . 34.1 p-80 -42.71 -47.52 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.55 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.631 HD22 ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -46.25 -26.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 4.7 ptm180 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 36.8 m -103.65 -28.25 11.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.587 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -69.84 -21.91 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 13.6 t80 -108.79 -37.17 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -94.86 2.36 55.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -33.53 -36.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -54.41 88.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' GLU . 2.0 mp 52.96 92.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 53' ' ' ARG . 6.9 tt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 97.5 t -89.06 -108.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.439 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 5.4 t-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 54' ' ' GLU . 2.1 m -63.66 -51.34 65.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 13.1 tt0 -62.65 -15.54 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.3 ttp -74.22 -34.1 63.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 15' ' ' LYS . 34.0 t0 -70.68 -29.98 66.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.376 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -82.84 -52.2 6.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.087 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 1.2 t -42.87 -33.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -66.62 -68.87 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' ALA . 82.2 t -47.21 -25.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.79 -30.38 22.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.99 -24.51 32.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -54.28 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 23' ' ' ALA . . . 178.59 -149.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 22' ' ' ALA . . . 85.04 132.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.466 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . 172.56 -60.02 0.15 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.515 ' CG1' ' SD ' ' A' ' 33' ' ' MET . 6.4 t -113.04 -27.43 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.598 0.823 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -35.48 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.546 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 33.2 m-85 -113.46 119.13 36.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 10.0 tppt? 160.11 -25.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.2 OUTLIER -42.61 -21.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.49 ' N ' ' C ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -44.68 -24.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.769 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -87.22 21.36 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 111.034 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 29' ' ' GLU . 13.9 t-20 65.25 63.05 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.555 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -80.68 120.26 78.57 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.485 ' O ' ' CE ' ' A' ' 33' ' ' MET . 18.4 Cg_endo -75.04 -179.15 4.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.029 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 p -68.35 56.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.474 HG21 ' CB ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -149.21 156.97 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.447 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -114.57 -33.92 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.4 -15.1 56.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.474 ' CB ' HG21 ' A' ' 36' ' ' ILE . . . -89.76 -21.02 22.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.503 HG22 ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -63.97 -41.36 92.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -37.61 20.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -65.11 -34.18 77.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 31.1 mm-40 -80.86 -77.47 0.2 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.68 110.05 1.81 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.529 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.5 Cg_endo -74.93 131.46 14.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 49' ' ' ARG . 2.0 pp20? -58.69 -51.13 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.617 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 23.1 p-80 -45.68 -45.05 13.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.606 1.191 . . . . 0.0 109.618 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.617 ' CD2' ' NE2' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -51.38 -26.51 7.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.395 1.06 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -59.56 -39.87 85.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 2.8 m -103.88 -27.08 12.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.596 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -70.66 -20.79 62.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 27.2 t80 -107.77 -41.48 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -91.8 2.47 56.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -33.12 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ARG . 3.0 mtp180 -39.1 -54.74 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.17 80.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.4 tt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 78.5 t -124.72 -106.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.446 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 2.8 t-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 2.9 m -64.01 -37.0 85.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -57.46 -27.87 62.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.247 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -34.19 74.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -81.96 -26.13 34.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.591 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -81.32 -39.92 24.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.56 -19.34 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 19' ' ' ASP . 2.9 t-20 -80.89 -69.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 24.9 t -48.55 -23.17 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -51.53 -35.33 40.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -22.8 67.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 18' ' ' VAL . . . -60.86 -55.77 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 21' ' ' ALA . . . 80.54 179.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.57 119.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.49 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -130.96 57.43 0.73 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.536 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 1.7 t -117.69 -55.49 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.394 0.703 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -40.0 -43.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.559 ' CD1' ' OE1' ' A' ' 46' ' ' GLU . 2.2 m-85 -37.85 -74.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' CB ' HG22 ' A' ' 64' ' ' VAL . 6.8 tttp -168.06 99.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.7 OUTLIER -42.08 -46.59 4.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.52 -63.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.5 OUTLIER -78.37 -11.71 59.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 20.9 t-20 62.55 62.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -90.59 170.35 10.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.98 179.96 5.57 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.464 1.77 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.01 58.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -133.54 154.62 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -104.87 -39.24 6.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -57.95 -16.1 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.504 ' CB ' HG21 ' A' ' 36' ' ' ILE . . . -103.1 0.22 31.61 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.536 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -91.17 -39.35 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.88 -35.96 28.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -60.34 -36.3 77.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' ' CE ' ' A' ' 33' ' ' MET . 75.7 mm-40 -81.28 -79.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.0 115.43 2.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.576 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.98 78.07 2.97 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.481 1.78 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.559 ' OE1' ' CD1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -47.1 -23.97 0.59 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.743 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 50.6 p-80 -74.31 -27.58 60.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.743 ' CD2' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -67.36 -31.36 71.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.466 ' CG ' ' N ' ' A' ' 50' ' ' SER . 4.3 ptm180 -49.52 -39.9 35.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.466 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.2 m -81.92 -34.14 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.4 m-90 -79.93 0.24 32.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 108.032 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.0 m-30 -111.79 -39.42 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -98.77 1.11 45.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.506 ' O ' ' CG2' ' A' ' 11' ' ' THR . 0.6 OUTLIER -36.09 -33.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -65.13 89.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.52 52.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 tt . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.019 -0.364 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 69.6 t -68.23 -105.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.467 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 12.3 m120 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.442 HG23 ' CG ' ' A' ' 54' ' ' GLU . 3.3 m -66.42 -53.98 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 15.8 tt0 -57.69 -22.51 46.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.62 -33.87 76.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.043 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.46 -28.55 61.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.55 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -83.21 -52.19 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -47.15 -23.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.69 HD21 ' N ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -72.86 -62.32 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.69 ' N ' HD21 ' A' ' 17' ' ' ASN . 92.1 t -61.7 -14.56 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.412 ' OD1' ' NE1' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -59.25 -15.42 15.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.93 -16.32 21.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -64.44 -99.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.33 178.21 4.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.57 -93.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.53 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . 172.94 55.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.558 ' CG1' HG23 ' A' ' 40' ' ' VAL . 1.4 t -114.15 -37.36 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -65.43 -11.83 46.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.526 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 2.8 m-85 -132.66 152.24 51.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.173 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.0 OUTLIER 89.08 -16.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.388 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -37.71 -28.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -49.35 -23.15 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.698 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -82.0 8.51 10.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 13.0 t-20 73.83 62.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.618 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -89.19 122.89 68.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.96 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.439 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.06 175.73 10.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.395 1.734 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.2 t -69.09 54.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.508 HG21 ' CB ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -145.8 158.03 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.492 1.12 . . . . 0.0 109.215 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.473 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -109.98 -34.53 6.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.59 -12.14 42.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.508 ' CB ' HG21 ' A' ' 36' ' ' ILE . . . -99.67 -19.88 16.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.558 HG23 ' CG1' ' A' ' 25' ' ' VAL . 1.0 OUTLIER -72.95 -38.72 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.99 -38.69 31.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' C ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -63.62 -29.81 71.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 15.5 mm-40 -87.02 -78.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -160.14 102.52 1.4 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.03 130.69 13.47 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -58.91 -46.66 87.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.65 ' CE1' HD21 ' A' ' 48' ' ' LEU . 16.6 p-80 -50.1 -37.31 33.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.65 HD21 ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -59.6 -23.15 62.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -62.98 -38.38 90.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.9 t -102.3 -28.61 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.068 . . . . 0.0 109.964 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.55 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -69.7 -28.09 65.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 107.995 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.511 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 23.8 t80 -100.11 -39.55 8.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -90.34 2.45 55.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' SER . 1.8 pm0 -35.42 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 53' ' ' ARG . 4.3 ttt85 -69.22 62.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 79.15 106.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.416 ' CG1' ' OE2' ' A' ' 29' ' ' GLU . 73.9 t -82.21 -97.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.414 ' ND2' ' HB2' ' A' ' 26' ' ' ALA . 8.2 p30 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.469 ' CG2' ' CD ' ' A' ' 54' ' ' GLU . 2.3 m -66.69 -53.71 30.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -60.14 -24.29 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 35.5 ttm -63.85 -35.06 79.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -76.67 -26.47 54.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.582 ' HG3' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -84.94 -37.85 20.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.355 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -14.72 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -79.59 -68.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 21.4 t -59.19 -14.36 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.72 -32.18 18.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -26.57 62.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 22' ' ' ALA . . . -42.86 -72.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.227 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 21' ' ' ALA . . . 84.69 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 73.91 108.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.48 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -154.75 60.86 0.38 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.55 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 1.4 t -119.18 -64.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.72 -25.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.705 ' CE1' ' CB ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -72.74 -42.76 63.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.952 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.582 ' N ' ' CD1' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -177.33 130.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 0.0 109.347 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -103.72 -45.46 4.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.11 -70.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 110.285 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.639 ' CD2' ' CB ' ' A' ' 43' ' ' GLU . 1.1 p90 -62.42 -15.49 49.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 20.5 t30 62.06 62.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.491 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -86.52 168.88 16.78 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.05 -176.72 3.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.9 t -66.53 59.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -135.72 155.76 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.373 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.437 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -108.2 -40.88 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.42 -17.68 8.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.484 ' CB ' HG21 ' A' ' 36' ' ' ILE . . . -98.05 -13.98 20.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.55 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -75.92 -41.75 39.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.402 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CG ' ' HB3' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -76.01 -40.26 54.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -39.23 77.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.639 ' CB ' ' CD2' ' A' ' 31' ' ' TYR . 11.0 mm-40 -82.68 -67.71 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -151.92 102.41 2.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.246 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.521 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.2 Cg_endo -75.05 129.72 12.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.705 ' CB ' ' CE1' ' A' ' 27' ' ' PHE . 2.3 pm0 -61.42 -42.16 98.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.622 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 25.4 p-80 -54.61 -36.72 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.56 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.622 ' CD2' ' NE2' ' A' ' 47' ' ' HIS . 1.1 mm? -58.8 -22.63 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 3.6 ptm180 -62.38 -40.02 95.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 67.1 m -103.48 -27.74 12.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.582 ' CD2' ' HG3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -69.69 -24.08 63.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 8.3 t80 -106.37 -38.15 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.7 OUTLIER -92.57 1.35 57.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -34.35 -35.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -48.97 -70.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.56 97.14 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 109.326 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 88.1 t -83.62 -106.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.44 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.404 HG21 ' CG ' ' A' ' 54' ' ' GLU . 8.3 m -63.02 -46.48 87.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 17.0 tt0 -61.85 -18.81 61.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -34.68 73.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.353 1.033 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.46 -29.32 61.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -79.16 -51.77 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -49.14 -22.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.551 HD21 ' N ' ' A' ' 18' ' ' VAL . 1.5 t30 -77.8 -63.55 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.551 ' N ' HD21 ' A' ' 17' ' ' ASN . 88.8 t -56.0 -18.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -48.26 -24.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.79 -27.68 13.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -40.13 -67.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.15 -175.48 4.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.04 -169.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -127.58 53.34 0.8 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.13 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.525 ' CG1' HG21 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -116.92 -24.47 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.56 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.625 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -102.32 108.26 19.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.625 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER 154.23 -22.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -47.97 -16.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' C ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -43.99 -24.74 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.741 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -88.0 20.43 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 29' ' ' GLU . 17.7 t30 65.86 64.48 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.502 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.99 132.09 68.3 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.468 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 18.3 Cg_endo -74.96 176.41 9.94 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 36' ' ' ILE . 98.2 t -72.33 48.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.062 . . . . 0.0 109.315 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 37' ' ' ALA . 81.6 mt -146.84 165.25 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.494 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -105.66 -34.55 7.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' N ' HG21 ' A' ' 36' ' ' ILE . 15.7 tt0 -63.14 -18.26 63.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -80.56 -25.14 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.525 HG21 ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -71.15 -40.0 74.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.402 ' N ' HG11 ' A' ' 40' ' ' VAL . 3.3 mt-10 -85.67 -37.02 19.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 38' ' ' GLU . 10.9 ttt-85 -66.3 -25.75 66.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -97.23 -77.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.29 102.16 2.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.563 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.5 Cg_endo -75.01 131.14 13.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -59.12 -55.42 35.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.352 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.616 ' CE1' HD22 ' A' ' 48' ' ' LEU . 33.3 p-80 -43.2 -46.28 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.591 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.616 HD22 ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -47.35 -28.36 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.235 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.5 ptm180 -57.29 -41.14 79.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.5 p -100.85 -28.77 12.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.575 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -69.35 -30.26 68.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 34.7 t80 -94.71 -43.03 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -87.17 2.04 51.16 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -33.13 -37.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' ARG . 16.4 mtt180 -40.47 -40.13 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tp -133.2 84.83 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.45 ' CG1' ' OE2' ' A' ' 29' ' ' GLU . 16.1 t -113.37 -9.61 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.8 m -63.65 -50.25 70.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.484 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.72 -27.17 67.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -34.18 76.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.08 -25.05 40.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -82.89 -55.72 4.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -42.61 -33.58 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -59.41 -68.93 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.6 t -51.55 -36.43 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.223 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -17.39 10.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.38 -19.65 45.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 22' ' ' ALA . . . -73.57 -102.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' ALA . . . 162.84 -165.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 63.61 144.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.512 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . 173.1 49.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.668 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -111.14 -75.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.563 0.802 . . . . 0.0 109.366 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' PHE . . . -42.81 -53.84 4.41 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' ALA . 79.1 m-85 -36.37 -48.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 4.9 tttt -146.6 67.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.226 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.586 ' O ' ' N ' ' A' ' 31' ' ' TYR . 1.5 mm-40 -66.06 -41.08 91.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.435 ' C ' ' N ' ' A' ' 32' ' ' ASN . 0.2 OUTLIER 37.7 -89.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.586 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.1 p90 -47.09 -19.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 30' ' ' ARG . 19.6 t-20 65.25 60.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.449 ' SD ' ' CB ' ' A' ' 39' ' ' ALA . 2.8 mmt -82.96 164.71 45.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.611 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 -177.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.39 63.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.611 ' N ' ' O ' ' A' ' 34' ' ' PRO . 1.0 OUTLIER -138.76 154.62 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' VAL . . . -107.38 -48.25 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -44.77 -42.19 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.521 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -72.28 -34.17 68.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.668 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -57.64 -40.71 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.26 -37.37 53.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -43.09 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.237 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 3.0 mm-40 -81.64 -76.39 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -158.68 116.17 1.7 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.623 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.5 Cg_endo -74.92 129.59 12.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.562 1.822 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.9 OUTLIER -58.29 -58.51 8.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.623 ' CE1' ' HB2' ' A' ' 45' ' ' PRO . 41.2 p-80 -41.15 -50.77 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.564 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.602 HD21 ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -41.93 -29.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.523 ' CG ' ' N ' ' A' ' 50' ' ' SER . 5.1 ptm180 -57.68 -44.01 85.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.523 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.1 m -101.15 -27.26 13.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.987 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -68.63 -29.65 68.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 9.4 t80 -96.57 -43.17 7.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -86.19 1.36 51.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.482 ' HA ' ' CG2' ' A' ' 57' ' ' ILE . 3.0 pt-20 -33.82 -36.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.9 ttt180 -49.11 -58.61 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.25 66.21 1.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 54' ' ' GLU . 20.5 pt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.412 ' CB ' ' O ' ' A' ' 26' ' ' ALA . 80.1 t -150.43 -99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.481 ' CG2' ' HG2' ' A' ' 54' ' ' GLU . 2.0 m -109.91 -43.5 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.454 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -78.65 -9.09 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -33.84 27.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -69.03 -33.27 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -81.28 -40.15 24.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.95 -16.27 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.409 ' C ' ' ND2' ' A' ' 17' ' ' ASN . 1.1 t30 -90.85 -51.21 5.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 22' ' ' ALA . 42.0 t -61.84 -14.13 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' VAL . 1.3 t70 -38.42 -31.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -91.22 -46.71 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.182 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -61.7 -13.84 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -38.47 141.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.43 -155.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -146.81 -82.37 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.489 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 1.8 t -110.78 -20.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.57 0.806 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -35.99 -57.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -124.15 48.81 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.56 ' O ' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -141.79 40.21 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.7 OUTLIER -86.03 1.68 49.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' C ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -35.45 -85.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.58 ' CD2' ' HB3' ' A' ' 43' ' ' GLU . 1.2 p90 -46.17 -20.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' GLU . 19.4 t30 63.78 61.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.43 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -84.07 173.13 7.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.01 -178.02 3.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.7 59.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.6 OUTLIER -135.73 154.23 34.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.45 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -106.22 -36.71 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.57 -16.62 26.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . -100.52 -4.63 28.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.489 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -84.56 -37.16 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.4 -37.01 22.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.518 ' C ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -64.98 -33.74 76.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.58 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 54.3 mm-40 -74.82 -78.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -161.04 97.84 1.33 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.512 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.06 132.48 15.39 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.529 1.805 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -59.18 -37.44 77.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.663 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 10.4 p-80 -60.5 -18.92 55.02 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.663 ' CD2' ' NE2' ' A' ' 47' ' ' HIS . 1.2 mm? -86.16 -60.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -54.87 -31.38 59.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 49' ' ' ARG . 2.0 t -77.92 -38.08 46.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.634 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.2 m-90 -81.49 -2.89 51.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 107.982 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.522 ' CE2' HD12 ' A' ' 48' ' ' LEU . 1.1 m-85 -110.02 -44.6 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -90.9 0.47 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.481 ' HG2' ' CG2' ' A' ' 11' ' ' THR . 6.8 pm0 -36.52 -33.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 53' ' ' ARG . 34.9 mtm-85 -53.01 -53.98 42.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -119.77 65.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.327 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 tp . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 82.4 t -125.88 -106.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.455 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 6.0 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 13' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.52 ' CG2' ' CD ' ' A' ' 54' ' ' GLU . 6.4 m -59.47 -43.03 93.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 15.0 tt0 -73.0 -8.15 54.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -83.8 -26.09 29.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 13' ' ' MET . 39.6 t0 -79.07 -29.75 43.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.633 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.15 -57.14 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -38.03 -36.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.403 ' N ' HG11 ' A' ' 16' ' ' VAL . 5.2 t-20 -63.14 -68.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.1 t -45.1 -27.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 17' ' ' ASN . 3.0 t70 -53.01 -42.71 65.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.34 -22.88 61.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.05 -72.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 23' ' ' ALA . . . 171.78 136.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 22' ' ' ALA . . . 169.22 82.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.463 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -142.21 -79.46 0.05 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.514 ' CG1' ' SD ' ' A' ' 33' ' ' MET . 2.1 t -109.12 -20.81 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.57 -29.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.552 ' CD2' ' N ' ' A' ' 28' ' ' LYS . 57.3 t80 -140.69 174.58 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.552 ' N ' ' CD2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER 88.44 -24.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -37.99 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -49.08 -22.29 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.757 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -85.75 15.8 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.47 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 12.9 t-20 65.34 63.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.616 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.22 123.65 72.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.432 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.02 177.01 9.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.0 m -68.53 55.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.47 HG21 ' CB ' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -145.37 158.13 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.461 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -111.8 -37.18 5.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.76 -13.34 22.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.47 ' CB ' HG21 ' A' ' 36' ' ' ILE . . . -99.07 -18.41 17.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.504 HG21 ' CG1' ' A' ' 25' ' ' VAL . 1.2 t -71.58 -38.02 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.65 -36.32 18.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 110.343 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.9 ttp85 -67.9 -32.04 72.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -80.7 -75.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.349 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.37 108.06 5.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.635 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.4 Cg_endo -75.06 79.57 2.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -28.17 -58.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.684 ' CD2' HD21 ' A' ' 48' ' ' LEU . 34.9 p-80 -45.78 -49.29 15.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.62 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.684 HD21 ' CD2' ' A' ' 47' ' ' HIS . 3.5 mm? -45.4 -29.88 1.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.525 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -55.12 -40.71 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 49.9 m -104.61 -25.86 12.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.633 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -73.62 -24.5 60.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 108.061 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 14.9 t80 -105.47 -39.34 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -90.95 1.3 57.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.52 ' CD ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -33.56 -36.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 53' ' ' ARG . 42.8 mtt180 -42.53 -64.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -142.72 78.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.552 HG23 ' CD1' ' A' ' 27' ' ' PHE . 74.6 t -76.02 -101.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.246 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.401 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 55' ' ' ARG . 88.7 m -67.7 -52.27 39.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.452 ' CB ' ' OE1' ' A' ' 54' ' ' GLU . 9.8 tt0 -57.33 -28.73 63.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -34.66 73.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -83.84 -25.87 29.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.594 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.18 -39.85 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.413 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.7 -14.74 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.676 HD21 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -87.89 -62.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.676 ' N ' HD21 ' A' ' 17' ' ' ASN . 25.1 t -59.52 -15.23 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -55.35 -18.38 6.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -105.03 -21.19 13.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.243 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -39.33 -89.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.52 -166.36 1.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.107 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.7 -101.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -176.83 50.28 0.11 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.526 ' CG1' HG21 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -116.07 -72.42 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.439 0.729 . . . . 0.0 109.222 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.05 -42.42 6.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -57.11 -37.37 71.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' VAL . 3.2 tptt -178.65 124.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.592 ' O ' ' CG ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -104.62 -46.14 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.08 -79.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.656 ' CD2' ' CB ' ' A' ' 43' ' ' GLU . 1.4 p90 -53.16 -17.35 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 62.05 61.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.458 ' CG ' ' CD1' ' A' ' 31' ' ' TYR . 3.0 mmt -84.47 164.65 42.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.593 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.95 -177.76 3.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.2 m -61.71 69.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.603 ' CG2' ' H ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -145.78 156.2 12.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.431 ' O ' ' HB ' ' A' ' 40' ' ' VAL . . . -109.84 -40.1 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -49.55 69.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.603 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -66.49 -25.15 66.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.526 HG21 ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -67.93 -41.16 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.441 ' CG ' ' HG3' ' A' ' 45' ' ' PRO . 0.9 OUTLIER -74.42 -35.54 63.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.233 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -58.97 -36.22 74.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.656 ' CB ' ' CD2' ' A' ' 31' ' ' TYR . 19.9 mm-40 -81.83 -80.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.99 97.76 0.75 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.598 1.186 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.503 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.6 Cg_endo -74.88 130.7 13.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 4.4 tm-20 -61.78 -41.83 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.692 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 30.7 p-80 -58.22 -15.82 11.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.613 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.617 ' CD2' ' NE2' ' A' ' 47' ' ' HIS . 2.3 mm? -87.88 -54.88 4.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.0 ptm180 -47.43 -36.54 10.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' GLU . 2.9 t -82.16 -37.49 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.692 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.0 OUTLIER -72.89 -12.02 60.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 108.021 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -98.8 -36.18 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -99.18 -0.93 40.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -47.74 -64.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER 34.54 -94.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 54' ' ' GLU . 1.4 tp -144.7 48.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.0 tt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.4 t -104.84 -10.46 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.368 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.9 m -53.68 -23.62 12.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -72.67 -26.76 61.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.0 ttp -61.84 -40.22 94.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.36 -27.31 59.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.583 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -79.61 -45.47 19.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -50.52 -22.84 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 19' ' ' ASP . 1.8 t-20 -85.52 -72.06 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.456 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 52.6 t -44.44 -26.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.42 ' N ' ' C ' ' A' ' 17' ' ' ASN . 3.4 t70 -39.73 -61.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 21' ' ' ALA . 3.9 pp -69.5 -44.07 71.83 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.06 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.82 166.56 10.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.95 -88.53 0.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . 165.29 42.6 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.519 ' HA ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -118.8 -37.1 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -36.86 -51.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.595 ' CZ ' ' CD ' ' A' ' 46' ' ' GLU . 7.6 p90 -131.61 59.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -139.91 25.01 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.519 ' CD ' ' CG1' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -96.22 0.92 51.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -58.58 -26.45 63.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.602 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 6.2 p90 -99.65 21.65 12.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 16.2 t-20 63.65 62.48 0.92 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.22 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.598 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.82 134.37 60.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.424 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.03 172.69 15.87 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.42 54.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.532 HG21 ' N ' ' A' ' 37' ' ' ALA . 71.3 mt -145.02 158.53 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.532 ' N ' HG21 ' A' ' 36' ' ' ILE . . . -95.94 -39.08 9.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.404 ' N ' HG21 ' A' ' 36' ' ' ILE . 27.6 tt0 -61.24 -48.01 83.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 110.259 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.477 ' HA ' ' CD ' ' A' ' 42' ' ' ARG . . . -55.25 -24.85 30.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 109.378 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.519 HG23 ' HA ' ' A' ' 25' ' ' VAL . 1.1 t -75.45 -32.42 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -88.26 -36.28 16.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.477 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 2.4 ptm180 -63.15 -29.7 71.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.591 ' OE1' ' CD1' ' A' ' 31' ' ' TYR . 2.6 mm-40 -88.01 -81.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.72 94.54 1.67 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.503 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.01 131.32 14.15 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.595 ' CD ' ' CZ ' ' A' ' 27' ' ' PHE . 2.4 pp20? -61.87 -39.94 93.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.709 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 16.1 p-80 -59.68 -15.23 18.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.574 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.626 ' CD2' ' NE2' ' A' ' 47' ' ' HIS . 2.0 mm? -87.77 -47.96 8.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.7 ptm180 -51.54 -36.97 47.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 2.7 m -83.95 -34.41 24.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.709 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.0 OUTLIER -73.67 -9.87 59.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 108.058 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 1.5 m-85 -103.96 -38.19 7.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.0 ttp180 -97.68 1.0 48.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 53' ' ' ARG . 5.4 pt-20 -36.37 -33.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ARG . 7.2 ttp180 -44.09 -52.15 7.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.347 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -164.52 79.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.2 tt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.519 ' CG1' ' CD ' ' A' ' 29' ' ' GLU . 77.2 t -131.54 -104.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 1.8 p-10 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.48 HG21 ' CA ' ' A' ' 55' ' ' ARG . 2.1 m -70.5 -62.42 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -58.85 -22.43 58.94 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -35.46 78.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -72.62 -27.83 62.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.611 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -86.42 -38.88 16.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 109.323 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -59.33 -15.76 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.684 HD21 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -75.67 -62.65 1.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.684 ' N ' HD21 ' A' ' 17' ' ' ASN . 78.1 t -54.81 -20.21 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -47.3 -49.66 23.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -28.22 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 18' ' ' VAL . . . -63.26 -56.02 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 21' ' ' ALA . . . 82.19 -69.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.15 153.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.456 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -137.34 -84.02 0.13 Allowed Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.503 ' CG1' ' SD ' ' A' ' 33' ' ' MET . 1.8 t -106.47 -43.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.632 0.842 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -38.13 -31.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' VAL . 31.8 t80 -131.55 169.77 15.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 75.5 1.51 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.421 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.1 OUTLIER -65.87 -3.63 5.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -14.44 9.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.714 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -91.39 12.33 20.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.451 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 20.7 t30 64.66 65.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.17 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.604 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.05 126.73 83.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 111.049 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.93 177.7 8.22 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 50.2 t -66.59 56.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 34' ' ' PRO . 1.0 OUTLIER -150.28 159.49 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.489 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -111.77 -35.88 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.23 -8.91 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.484 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . -105.67 -1.6 24.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.5 HG22 ' CG1' ' A' ' 25' ' ' VAL . 1.2 t -84.02 -37.22 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.6 -30.88 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -24.42 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.243 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.58 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 8.6 mm-40 -73.62 -81.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.74 120.68 0.94 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.748 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.0 Cg_endo -75.03 79.07 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -31.94 -36.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.611 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 8.4 p-80 -55.11 -12.19 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.596 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.748 ' N ' ' O ' ' A' ' 45' ' ' PRO . 3.5 mm? -82.87 -45.82 13.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 4.6 ptm180 -49.98 -37.1 30.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.7 m -83.25 -33.95 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.611 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -76.73 -11.14 59.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 108.007 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.0 m-85 -100.6 -39.28 7.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -101.41 0.26 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 0.0 110.4 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -34.73 -83.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.48 ' CA ' HG21 ' A' ' 11' ' ' THR . 3.4 ttm180 39.85 28.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER 76.67 52.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' GLU . 1.4 tt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.9 t -41.72 -90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.9 m -72.09 -35.71 69.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.49 -25.75 67.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mmm -62.4 -35.69 79.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -78.65 -29.68 45.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.354 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.578 ' HG3' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -77.25 -38.31 51.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -11.72 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -97.62 -57.0 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.7 t -57.89 -16.07 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -58.16 -16.78 14.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -100.03 -4.33 30.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 20' ' ' LEU . . . -44.68 -94.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.93 76.98 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 40.68 -154.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -143.64 67.12 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.117 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.514 ' CG1' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -120.67 -40.69 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.76 -71.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.528 ' CG ' ' HB ' ' A' ' 64' ' ' VAL . 0.3 OUTLIER -97.38 47.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 110.992 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 1.1 tpmp? -129.5 4.89 5.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.081 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 33' ' ' MET . 0.2 OUTLIER -75.59 2.33 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.268 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -21.84 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.682 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 1.3 p90 -108.71 24.5 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 111.017 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 16.3 t-20 64.61 65.38 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.511 ' CE ' ' O ' ' A' ' 36' ' ' ILE . 7.1 tpt -83.44 124.78 75.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.99 178.7 6.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.4 m -68.1 59.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.511 ' O ' ' CE ' ' A' ' 33' ' ' MET . 49.3 mt -145.12 161.84 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.474 ' N ' HG21 ' A' ' 36' ' ' ILE . . . -120.95 -17.21 7.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.37 1.16 56.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.491 ' HA ' ' CD ' ' A' ' 42' ' ' ARG . . . -106.22 -14.26 15.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.514 HG23 ' CG1' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -76.38 -37.24 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.49 -37.17 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.491 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 5.2 ptm180 -62.29 -33.06 73.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.512 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 18.9 mm-40 -86.99 -80.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -162.4 98.08 1.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.543 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.3 Cg_endo -74.93 132.54 15.63 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.79 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -60.4 -46.62 89.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.675 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 32.4 p-80 -53.52 -18.22 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.647 ' CD2' ' NE2' ' A' ' 47' ' ' HIS . 1.8 mm? -86.63 -59.27 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.4 ptm180 -50.58 -37.3 39.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.7 t -75.64 -39.79 57.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.675 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.1 m-90 -75.38 -10.76 59.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 107.975 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CE1' HD11 ' A' ' 48' ' ' LEU . 2.4 m-85 -100.66 -41.1 7.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.538 ' CG ' ' O ' ' A' ' 53' ' ' ARG . 9.0 ttt180 -97.69 -1.99 42.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.269 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -34.8 -92.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.547 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 25.78 88.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 110.223 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' ARG . 1.1 mt 38.37 87.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.37 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.437 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 1.1 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.528 ' HB ' ' CG ' ' A' ' 27' ' ' PHE . 2.8 t -97.9 -10.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.178 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' A' ' 13' ' ' MET . 1.1 tt0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.471 ' CG2' ' OE2' ' A' ' 54' ' ' GLU . 16.4 m -95.32 -25.57 16.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -81.34 -15.03 56.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.067 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -74.38 -31.02 62.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -74.57 -30.04 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.587 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -81.11 -52.72 7.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -41.18 -32.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 15' ' ' LYS . 6.1 t-20 -66.88 -66.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 21' ' ' ALA . 40.0 t -57.88 -16.74 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 17.8 t70 -40.72 -29.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' N ' ' C ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -82.11 -48.25 11.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -59.83 -16.4 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' ALA . . . -39.12 155.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.37 -158.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.22 -85.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.54 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 0.6 OUTLIER -109.25 -14.43 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.496 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -32.81 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.483 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 4.1 p90 -124.34 160.25 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER 87.32 7.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.594 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -38.01 -48.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.244 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 59.57 -71.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 110.268 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.616 ' CD1' ' HB2' ' A' ' 33' ' ' MET . 2.7 p90 -67.03 -18.01 65.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 22.1 t30 62.15 64.74 0.94 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.616 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 4.7 tpp -80.05 138.69 53.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.607 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.01 -174.09 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -41.68 89.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 109.345 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.607 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -179.17 149.73 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.45 -18.88 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.65 -48.26 55.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.306 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.469 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -74.49 -2.87 27.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.54 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -80.24 -49.5 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.55 -33.78 47.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -32.66 73.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 13.2 mm-40 -75.47 -77.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.36 116.14 2.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 110.207 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.619 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.2 Cg_endo -75.02 132.82 15.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.64 ' O ' ' N ' ' A' ' 49' ' ' ARG . 1.1 mp0 -58.02 -65.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.624 ' CE1' HD21 ' A' ' 48' ' ' LEU . 43.1 p-80 -36.3 -52.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.594 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.624 HD21 ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -41.65 -28.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.64 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.5 ptm180 -59.65 -43.76 93.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 2.9 m -102.65 -22.79 13.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.587 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -71.56 -20.66 61.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.006 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -113.98 -30.27 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -103.13 2.43 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.389 1.056 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.571 ' CB ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -30.69 -40.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.524 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER 29.02 -142.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.28 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.6 45.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.924 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 70.2 t -95.71 -105.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.455 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 1.3 t-20 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 29.7 m -83.86 -47.91 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.427 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -61.13 -26.31 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.363 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -34.23 75.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -80.24 -25.89 39.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -82.17 -40.09 22.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.8 -18.22 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -75.38 -70.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' ALA . 72.2 t -50.81 -32.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -40.62 -51.97 2.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.402 HD13 ' N ' ' A' ' 21' ' ' ALA . 2.8 pp -46.43 -45.39 18.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -70.97 -65.63 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 64.73 123.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -177.62 67.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.43 ' C ' ' HB2' ' A' ' 28' ' ' LYS . . . -115.55 55.25 0.55 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.515 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -122.87 -78.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.4 0.706 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.62 -46.27 79.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.463 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -89.94 32.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -165.63 27.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 31' ' ' TYR . 5.9 mt-10 -35.08 -48.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 61.28 -69.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 47.9 p90 -110.26 32.32 5.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.434 1.084 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 19.2 t30 54.58 62.78 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -76.27 149.71 82.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.0 178.12 7.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 m -68.14 60.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 34' ' ' PRO . 56.9 mt -142.31 151.77 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.515 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . . . -103.24 -26.52 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -83.14 1.68 39.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.437 ' O ' ' OH ' ' A' ' 31' ' ' TYR . . . -100.54 -41.36 7.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.506 ' CG2' ' HA ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -56.02 -37.43 48.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -84.05 -38.25 21.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -59.29 -32.39 70.0 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 2.5 mm-40 -94.42 -80.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.94 110.81 3.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.58 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.0 Cg_endo -74.99 80.04 2.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 45.7 tt0 -45.74 -25.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.787 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 47.6 p-80 -74.3 -21.55 59.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.607 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.787 ' CD2' ' CD2' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -77.82 -47.97 17.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 50' ' ' SER . 2.8 ptm180 -41.86 -35.12 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.464 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 0.9 OUTLIER -82.41 -40.13 21.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.566 1.166 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.3 m-90 -79.34 0.78 27.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 108.03 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.8 m-30 -114.32 -45.94 3.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.5 ttp180 -89.62 0.28 57.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.494 ' O ' ' CG2' ' A' ' 11' ' ' THR . 3.0 pt-20 -37.44 -31.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.5 tpp180 -71.7 84.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mt 62.72 82.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 109.38 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 86.9 t -97.99 -106.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.45 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.37 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.515 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 2.3 m -62.78 -28.19 69.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -80.26 -9.4 59.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -37.54 31.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -65.15 -34.96 79.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.612 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -79.71 -46.24 17.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -47.01 -32.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -68.14 -67.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' ALA . 46.9 t -55.37 -18.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' VAL . 39.9 t0 -38.42 -51.58 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mp -51.69 -48.9 63.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.354 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -74.17 -89.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 72.77 160.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.79 -170.91 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.417 ' C ' HG11 ' A' ' 40' ' ' VAL . . . -153.42 -84.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -106.77 -14.83 9.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.417 0.716 . . . . 0.0 109.292 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -36.71 -35.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 1.9 m-85 -57.83 -49.89 75.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' VAL . 17.3 tptt 76.1 2.98 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -121.12 -10.72 8.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.696 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -35.18 94.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 30' ' ' ARG . 43.9 p90 40.74 34.75 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 17.7 t-20 64.51 57.82 1.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.568 ' CE ' ' HB ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -78.48 140.24 59.91 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.55 ' N ' ' HG3' ' A' ' 33' ' ' MET . 18.4 Cg_endo -75.04 -174.07 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.37 57.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.568 ' HB ' ' CE ' ' A' ' 33' ' ' MET . 79.5 mt -146.58 155.22 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.516 ' N ' HG21 ' A' ' 36' ' ' ILE . . . -117.28 -19.65 9.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.22 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 25.6 tt0 -76.44 -12.16 60.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.533 ' CB ' ' CE ' ' A' ' 33' ' ' MET . . . -101.71 -17.94 16.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.534 ' CG2' ' SD ' ' A' ' 33' ' ' MET . 0.9 OUTLIER -67.75 -29.87 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.43 -36.55 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.459 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 3.0 ptm180 -66.17 -32.86 74.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 6.0 mm-40 -85.47 -80.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -159.47 99.95 1.54 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.01 137.08 21.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.575 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 1.8 tm-20 -55.06 -52.17 64.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.671 ' CE1' HD22 ' A' ' 48' ' ' LEU . 11.1 p-80 -47.56 -22.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.649 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.671 HD22 ' CE1' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -85.21 -66.51 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -50.5 -33.27 20.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -72.25 -45.37 60.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.612 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.2 m-90 -75.63 -6.23 49.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 107.983 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 1.3 m-85 -101.75 -42.38 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -89.17 -4.75 58.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.515 ' O ' ' CG2' ' A' ' 11' ' ' THR . 14.1 pt-20 -41.54 -40.22 1.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -45.96 -34.61 4.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.348 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -112.09 -73.93 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 93.6 t -97.97 -107.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.441 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -66.62 -54.49 22.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -60.97 -24.01 65.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -34.66 78.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -78.96 -26.98 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.547 ' HG3' ' CE3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -79.4 -53.59 6.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.175 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.1 -25.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.646 HD21 ' N ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -76.04 -59.61 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.374 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.646 ' N ' HD21 ' A' ' 17' ' ' ASN . 36.6 t -65.01 -10.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -40.46 -29.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -82.7 -48.23 11.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -62.45 -19.91 64.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 23' ' ' ALA . . . -39.53 -56.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 22' ' ' ALA . . . 83.97 -72.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.413 ' C ' HG12 ' A' ' 40' ' ' VAL . . . 110.54 -35.14 4.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -112.75 -12.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -34.14 -33.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' VAL . 46.6 m-85 -104.66 -43.54 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 0.1 OUTLIER 37.85 31.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -120.7 -38.85 2.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 110.251 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -33.72 -35.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.591 ' CD2' ' HB2' ' A' ' 33' ' ' MET . 0.5 OUTLIER -124.77 -9.14 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 15.4 t30 58.26 65.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.591 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -99.26 166.87 12.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.158 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.08 -176.05 2.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 0.0 110.954 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 m -67.19 60.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -132.25 155.75 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -109.11 -37.08 5.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.87 -13.03 20.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.397 1.06 . . . . 0.0 110.234 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.481 ' CB ' HG21 ' A' ' 36' ' ' ILE . . . -105.16 -1.72 25.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.509 ' CG2' ' OH ' ' A' ' 31' ' ' TYR . 0.9 OUTLIER -85.12 -39.43 14.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.42 -33.06 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -24.55 63.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 39' ' ' ALA . 65.1 mm-40 -83.0 -81.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.66 109.98 0.68 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.687 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.08 79.11 2.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -34.06 -33.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.628 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 8.7 p-80 -56.74 -13.06 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.62 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.687 ' N ' ' O ' ' A' ' 45' ' ' PRO . 2.7 mm? -80.51 -48.95 12.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 50' ' ' SER . 5.8 ptm180 -37.64 -32.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.5 m -91.35 -39.47 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.547 ' CE3' ' HG3' ' A' ' 15' ' ' LYS . 1.1 m-90 -71.06 -12.25 61.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -105.43 -41.63 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -88.63 0.22 56.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.46 ' OE2' ' N ' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -39.39 -29.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.46 ' N ' ' OE2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -49.65 -26.4 3.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 110.344 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.82 79.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 tt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 65.7 t -126.88 -103.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.483 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 14.1 t-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.363 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.452 ' HG2' ' CD2' ' A' ' 2' ' ' LEU . 7.8 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.54 0.21 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.452 ' CD2' ' HG2' ' A' ' 1' ' ' MET . 0.6 OUTLIER -168.07 71.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.5 164.32 21.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.33 150.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.69 164.44 0.24 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.94 93.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -80.42 -46.2 16.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.506 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER 163.69 107.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -172.63 49.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 13' ' ' MET . 4.3 tt0 -105.64 -21.68 13.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.273 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -52.91 -27.82 20.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 54' ' ' GLU . 9.5 tt0 -65.86 -28.06 68.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.435 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -59.99 -32.37 70.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 13' ' ' MET . 18.2 t0 -85.7 -26.05 26.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.4 -39.53 28.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.82 -14.8 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.584 HD21 ' N ' ' A' ' 18' ' ' VAL . 1.4 t30 -84.01 -63.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.584 ' N ' HD21 ' A' ' 17' ' ' ASN . 20.4 t -63.77 -13.73 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.52 -29.01 58.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -84.93 -27.56 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.35 -78.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.82 163.47 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.07 -1.29 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.439 ' C ' HG13 ' A' ' 40' ' ' VAL . . . 104.33 42.64 1.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 111.05 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.561 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -117.55 -79.0 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.18 -33.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -60.82 2.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.482 ' CG ' ' HG3' ' A' ' 46' ' ' GLU . 22.2 ptmt -177.43 118.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -33.75 -37.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 71.96 -61.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 47.1 p90 -117.2 23.81 11.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.432 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 17.8 t-20 63.75 64.05 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.79 146.95 73.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 -176.38 2.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.1 t -67.53 57.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.8 OUTLIER -149.14 156.12 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.452 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -112.43 -31.99 6.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.08 -13.19 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.485 ' CB ' HG21 ' A' ' 36' ' ' ILE . . . -97.01 -22.92 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.561 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 1.0 OUTLIER -67.94 -33.45 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.74 -37.93 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -65.6 -30.41 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 10.8 mm-40 -90.73 -78.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.162 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.48 101.25 2.04 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.247 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.57 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.4 Cg_endo -74.99 131.07 13.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -59.14 -55.86 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.625 ' CE1' HD21 ' A' ' 48' ' ' LEU . 34.6 p-80 -42.78 -47.9 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.576 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.625 HD21 ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -45.12 -29.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.3 ptm180 -58.37 -39.58 79.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.7 OUTLIER -101.93 -28.34 12.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -70.5 -25.87 63.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 26.4 t80 -102.19 -37.42 8.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -92.82 1.4 57.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.6 OUTLIER -33.41 -37.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' ARG . 15.0 mmt85 -39.44 -31.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.448 ' O ' ' CD ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -174.06 69.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.8 tt -40.59 -61.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 64.05 151.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.7 -76.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 68.44 168.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.6 mt 66.08 158.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -159.94 -68.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m 63.16 100.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.8 t -128.49 -44.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.56 -58.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.8 tp -40.2 -63.39 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.2 m 60.32 118.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -139.2 170.25 16.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.85 83.1 0.17 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -164.26 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.44 42.66 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -42.58 156.26 0.25 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -40.91 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.06 152.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 tp 67.59 64.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.263 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.8 pttp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.515 0.198 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -66.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.27 -167.46 1.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 t30 66.96 90.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tp -179.14 165.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 75.38 105.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -39.98 38.3 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.555 1.16 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 0.7 OUTLIER 61.17 76.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 8' ' ' LEU . 4.3 m-20 -166.75 51.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -120.17 -4.63 10.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.1 m -61.0 -37.06 81.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' A' ' 54' ' ' GLU . 14.2 tt0 -66.37 -27.36 67.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttt -61.41 -37.67 84.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.77 -26.0 40.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.581 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.0 -39.25 30.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.63 -14.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.677 HD21 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -85.35 -62.84 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.372 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.677 ' N ' HD21 ' A' ' 17' ' ' ASN . 91.9 t -64.98 -11.69 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 4.1 p-10 -44.39 -45.0 8.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.448 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 3.1 tt -57.39 -39.82 76.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -41.04 -51.65 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.43 -152.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.65 125.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -160.79 52.82 0.34 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.573 1.171 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.517 ' HA ' HG22 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -118.51 -36.37 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 0.726 . . . . 0.0 109.363 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 65' ' ' ASN . . . -38.5 -34.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.67 70.39 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -146.25 18.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HA ' ' CG ' ' A' ' 33' ' ' MET . 1.7 pm0 -79.25 1.18 25.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.85 -34.98 9.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.618 ' CE1' ' HB3' ' A' ' 33' ' ' MET . 12.6 p90 -99.41 27.37 5.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.405 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 15.0 t-20 57.34 63.54 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.618 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.84 134.06 61.13 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.07 176.45 9.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 p -69.08 56.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.522 HG21 ' N ' ' A' ' 37' ' ' ALA . 58.7 mt -145.1 161.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.522 ' N ' HG21 ' A' ' 36' ' ' ILE . . . -104.18 -32.03 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.42 ' N ' HG21 ' A' ' 36' ' ' ILE . 8.9 tt0 -64.75 -47.77 77.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HA ' ' CD ' ' A' ' 42' ' ' ARG . . . -58.01 -22.16 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -75.0 -32.53 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.08 -37.54 15.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.401 1.063 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.483 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 2.0 ptm180 -68.0 -36.05 79.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 3.2 mm-40 -82.88 -72.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.42 109.58 2.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.592 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.3 Cg_endo -74.96 132.92 16.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.558 ' O ' ' N ' ' A' ' 49' ' ' ARG . 3.1 tp10 -57.45 -66.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.609 ' CE1' HD23 ' A' ' 48' ' ' LEU . 41.3 p-80 -36.19 -54.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.552 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.609 HD23 ' CE1' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -38.5 -33.17 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.558 ' N ' ' O ' ' A' ' 46' ' ' GLU . 7.0 ptm180 -50.9 -44.35 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 30.6 t -99.26 -29.56 12.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.581 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.5 m-90 -68.76 -22.1 64.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.005 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 25.1 t80 -98.15 -45.88 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.7 ttp180 -86.92 3.13 46.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -34.42 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.2 ttm180 -79.31 108.72 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.1 mt 66.39 63.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 58' ' ' ALA . 2.1 tp -83.24 0.82 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' ILE . . . -37.35 -38.2 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -101.69 137.78 39.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -178.64 126.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.433 ' C ' ' CD2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -155.76 162.53 40.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -178.0 -67.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 t 63.25 76.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 65' ' ' ASN . 74.7 t -113.55 -99.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -83.47 -61.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 78.85 94.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.0 m -103.32 160.02 15.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.19 134.99 54.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.351 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -161.14 145.92 10.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -178.22 4.02 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.553 ' CE2' ' HD3' ' A' ' 73' ' ' PRO . 3.0 p90 -131.01 -46.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.12 93.46 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 71' ' ' TYR . 18.1 Cg_endo -75.07 -32.57 5.2 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.586 1.835 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt 45.78 -165.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 69.55 94.66 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.528 0.204 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -160.99 158.6 28.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.378 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.71 58.96 1.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -42.6 137.58 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -111.82 53.77 0.71 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.76 -71.64 0.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.394 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -92.09 -57.98 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER 39.66 73.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -127.75 38.19 4.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 60.32 14.27 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.427 ' CG2' ' CG ' ' A' ' 54' ' ' GLU . 1.8 m -74.09 -63.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -54.09 -22.51 11.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -33.85 76.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.069 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.44 -28.88 62.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -85.98 -41.1 15.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.388 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.75 -16.22 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.595 HD21 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -81.65 -58.51 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.595 ' N ' HD21 ' A' ' 17' ' ' ASN . 28.3 t -67.25 -9.81 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -55.93 -19.07 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -92.26 -18.73 23.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' HB3' ' CG1' ' A' ' 18' ' ' VAL . . . -39.06 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.569 1.168 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.26 -163.05 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -163.87 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -121.54 53.67 0.7 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.499 ' CG1' HG22 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -118.3 -39.54 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.395 0.703 . . . . 0.0 109.347 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -38.27 -43.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.551 ' CD1' HG21 ' A' ' 64' ' ' VAL . 1.3 t80 -135.69 61.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.528 ' CD ' ' O ' ' A' ' 44' ' ' GLN . 1.3 tpmp? -145.77 23.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.496 ' HA ' ' CG ' ' A' ' 33' ' ' MET . 0.1 OUTLIER -87.11 1.77 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -52.52 -42.59 64.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 110.22 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.597 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 9.6 p90 -88.74 25.08 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.2 t30 59.81 63.37 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.587 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -79.36 125.6 82.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -75.01 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 m -67.2 58.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.6 OUTLIER -145.38 164.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -120.24 -32.45 4.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.45 -11.31 57.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.21 -21.8 15.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.093 . . . . 0.0 109.253 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.499 HG22 ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -68.78 -34.37 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.473 ' CG ' ' HG3' ' A' ' 45' ' ' PRO . 2.0 tt0 -86.4 -38.3 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -59.79 -34.46 73.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -90.62 -77.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.235 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.528 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 1.1 tt0 -161.14 99.99 1.27 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.473 ' HG3' ' CG ' ' A' ' 41' ' ' GLU . 18.3 Cg_endo -75.02 134.59 17.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -58.46 -63.76 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.246 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.646 ' CE1' HD23 ' A' ' 48' ' ' LEU . 27.5 p-80 -37.93 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.646 HD23 ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -70.65 -55.08 9.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 2.6 ptm180 -44.9 -36.95 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.3 m -85.3 -35.59 21.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.596 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -71.66 -7.91 50.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -108.2 -36.77 6.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.7 ttp180 -98.82 1.06 45.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -37.81 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -71.48 71.89 0.69 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 tt 71.63 104.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.462 HG13 ' N ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -121.28 -91.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.462 ' N ' HG13 ' A' ' 57' ' ' ILE . . . -171.26 44.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.7 m80 61.99 -169.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.596 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -94.16 134.46 36.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -176.73 167.67 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -165.8 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.06 17.56 4.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.934 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.551 HG21 ' CD1' ' A' ' 27' ' ' PHE . 92.1 t -87.62 -107.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.449 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 7.7 t-20 -75.89 -65.73 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 tp 65.92 82.9 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.4 m -91.31 166.86 12.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.946 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -174.92 125.14 0.27 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.23 152.1 54.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.18 . . . . 0.0 109.356 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.69 38.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -167.11 147.07 5.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -176.87 95.52 0.24 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.352 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.402 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 18.6 Cg_endo -74.94 175.99 10.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 73' ' ' PRO . 13.5 tmtt? -176.47 150.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.19 99.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.46 0.171 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.413 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -164.42 163.06 22.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.45 -69.58 0.09 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 57.51 106.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.53 46.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.65 79.76 0.1 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 10' ' ' GLN . 9.5 pttp -77.42 -41.37 40.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.421 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 0.1 OUTLIER 40.2 73.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER 63.14 58.11 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.462 ' CB ' ' HB2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -105.22 -5.54 20.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.467 ' CG2' ' CD ' ' A' ' 54' ' ' GLU . 2.1 m -60.81 -50.14 74.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.401 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 18.2 tt0 -69.47 -16.92 63.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -36.27 68.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -69.24 -30.12 68.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.587 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -84.07 -37.15 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER -64.04 -12.42 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.701 HD21 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -86.95 -63.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.701 ' N ' HD21 ' A' ' 17' ' ' ASN . 65.9 t -54.59 -19.99 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -57.36 -25.31 59.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -20.28 27.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.8 -68.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.24 -166.31 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.64 -144.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.467 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -124.04 50.47 0.85 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.547 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -120.92 -80.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.372 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.25 -22.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.98 -58.47 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 30' ' ' ARG . 5.9 tttt -176.1 111.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -33.64 -34.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 68.27 -60.25 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 46.7 p90 -119.27 25.96 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.457 ' HA ' ' HB2' ' A' ' 29' ' ' GLU . 18.2 t30 62.94 62.94 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -76.88 142.83 69.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.51 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.05 -175.91 2.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.2 t -66.75 57.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.51 ' N ' ' O ' ' A' ' 34' ' ' PRO . 1.1 mt -148.78 154.74 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.459 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -113.18 -30.88 6.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -67.19 -13.09 61.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.478 ' CB ' HG21 ' A' ' 36' ' ' ILE . . . -98.71 -22.68 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.547 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -68.44 -32.14 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.2 -38.67 14.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -65.66 -31.02 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 3.6 mm-40 -88.73 -78.1 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 110.27 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.23 98.16 2.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.576 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.1 Cg_endo -75.1 131.75 14.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' ARG . 1.5 tt0 -59.02 -56.21 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.631 ' CE1' HD22 ' A' ' 48' ' ' LEU . 34.1 p-80 -42.71 -47.52 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.55 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.631 HD22 ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -46.25 -26.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 4.7 ptm180 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 36.8 m -103.65 -28.25 11.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.587 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -69.84 -21.91 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 13.6 t80 -108.79 -37.17 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.503 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -94.86 2.36 55.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -33.53 -36.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -54.41 88.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' GLU . 2.0 mp 52.96 92.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.446 ' CD1' ' HB3' ' A' ' 53' ' ' ARG . 6.9 tt -115.9 -53.47 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.438 ' N ' ' CG2' ' A' ' 57' ' ' ILE . . . 55.6 81.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -109.17 -178.03 3.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.559 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.0 -11.42 12.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.394 1.059 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.461 ' O ' ' CB ' ' A' ' 62' ' ' ALA . 1.1 tp 47.19 93.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 61' ' ' LEU . . . 165.05 108.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 m -137.1 -82.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 97.5 t -89.06 -108.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.439 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 5.4 t-20 -74.62 -62.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 51.18 73.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.361 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -124.33 163.64 21.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 0.0 109.95 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.79 165.64 17.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.249 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.03 155.82 70.22 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 176.47 9.89 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.396 1.735 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -142.12 168.67 19.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 110.982 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -155.05 118.12 2.46 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.252 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -64.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.4 1.737 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.15 168.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.11 108.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.222 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 tttm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.458 0.17 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.3 tp -167.18 34.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -161.68 54.41 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 175.32 149.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.53 107.13 8.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.341 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -138.61 58.26 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -76.29 -34.88 59.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER 38.96 57.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 t0 175.14 52.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -98.22 -8.68 26.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' HG2' ' A' ' 54' ' ' GLU . 2.1 m -63.66 -51.34 65.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 13.1 tt0 -62.65 -15.54 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.3 ttp -74.22 -34.1 63.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 15' ' ' LYS . 34.0 t0 -70.68 -29.98 66.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.376 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -82.84 -52.2 6.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.087 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 1.2 t -42.87 -33.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -66.62 -68.87 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 21' ' ' ALA . 82.2 t -47.21 -25.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.79 -30.38 22.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.99 -24.51 32.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -54.28 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 23' ' ' ALA . . . 178.59 -149.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 22' ' ' ALA . . . 85.04 132.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.466 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . 172.56 -60.02 0.15 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.515 ' CG1' ' SD ' ' A' ' 33' ' ' MET . 6.4 t -113.04 -27.43 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.598 0.823 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -35.48 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.546 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 33.2 m-85 -113.46 119.13 36.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 10.0 tppt? 160.11 -25.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.2 OUTLIER -42.61 -21.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.49 ' N ' ' C ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -44.68 -24.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.769 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -87.22 21.36 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 111.034 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 29' ' ' GLU . 13.9 t-20 65.25 63.05 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.555 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -80.68 120.26 78.57 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.485 ' O ' ' CE ' ' A' ' 33' ' ' MET . 18.4 Cg_endo -75.04 -179.15 4.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.029 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 p -68.35 56.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.474 HG21 ' CB ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -149.21 156.97 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.447 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -114.57 -33.92 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.4 -15.1 56.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.474 ' CB ' HG21 ' A' ' 36' ' ' ILE . . . -89.76 -21.02 22.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.503 HG22 ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -63.97 -41.36 92.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -37.61 20.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -65.11 -34.18 77.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 31.1 mm-40 -80.86 -77.47 0.2 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.68 110.05 1.81 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.529 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.5 Cg_endo -74.93 131.46 14.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 49' ' ' ARG . 2.0 pp20? -58.69 -51.13 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.617 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 23.1 p-80 -45.68 -45.05 13.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.606 1.191 . . . . 0.0 109.618 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.617 ' CD2' ' NE2' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -51.38 -26.51 7.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.395 1.06 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -59.56 -39.87 85.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 2.8 m -103.88 -27.08 12.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.596 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -70.66 -20.79 62.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 27.2 t80 -107.77 -41.48 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -91.8 2.47 56.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -33.12 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ARG . 3.0 mtp180 -39.1 -54.74 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.17 80.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.4 tt -62.74 -32.48 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.81 112.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 173.37 -175.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.594 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -143.36 92.57 2.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 mp -110.75 -177.47 3.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 68.38 88.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 p -165.04 47.94 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 78.5 t -124.72 -106.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.446 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 2.8 t-20 -40.38 -39.08 0.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.474 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 1.1 pp 37.83 71.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.2 m -52.85 -175.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 70' ' ' PRO . 30.6 ttt180 -95.6 127.93 42.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' ARG . 7.4 tp -39.31 99.75 0.2 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ARG . 18.6 Cg_endo -74.93 179.49 6.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 60.5 173.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.25 75.77 0.27 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.98 -174.28 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -38.72 -61.8 0.68 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.368 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.97 95.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.549 0.214 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.01 175.06 6.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -100.08 153.46 19.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -178.78 144.77 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mp -119.62 174.29 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -126.49 -101.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -118.54 -56.14 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.365 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 tp 75.49 59.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.454 ' OD2' ' CZ ' ' A' ' 55' ' ' ARG . 0.5 OUTLIER 54.64 45.87 25.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -115.3 3.48 14.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.25 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 2.9 m -64.01 -37.0 85.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -57.46 -27.87 62.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.247 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -34.19 74.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -81.96 -26.13 34.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.591 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -81.32 -39.92 24.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.56 -19.34 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 19' ' ' ASP . 2.9 t-20 -80.89 -69.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.459 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 24.9 t -48.55 -23.17 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -51.53 -35.33 40.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -22.8 67.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 18' ' ' VAL . . . -60.86 -55.77 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 21' ' ' ALA . . . 80.54 179.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.57 119.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -130.96 57.43 0.73 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.536 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 1.7 t -117.69 -55.49 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.394 0.703 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -40.0 -43.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.559 ' CD1' ' OE1' ' A' ' 46' ' ' GLU . 2.2 m-85 -37.85 -74.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' CB ' HG22 ' A' ' 64' ' ' VAL . 6.8 tttp -168.06 99.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.7 OUTLIER -42.08 -46.59 4.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.52 -63.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 29' ' ' GLU . 0.5 OUTLIER -78.37 -11.71 59.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 20.9 t-20 62.55 62.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -90.59 170.35 10.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.98 179.96 5.57 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.464 1.77 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.5 t -67.01 58.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -133.54 154.62 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -104.87 -39.24 6.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -57.95 -16.1 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.504 ' CB ' HG21 ' A' ' 36' ' ' ILE . . . -103.1 0.22 31.61 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.536 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -91.17 -39.35 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.88 -35.96 28.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -60.34 -36.3 77.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' ' CE ' ' A' ' 33' ' ' MET . 75.7 mm-40 -81.28 -79.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.0 115.43 2.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.576 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.98 78.07 2.97 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.481 1.78 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.559 ' OE1' ' CD1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -47.1 -23.97 0.59 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.743 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 50.6 p-80 -74.31 -27.58 60.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.743 ' CD2' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -67.36 -31.36 71.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.466 ' CG ' ' N ' ' A' ' 50' ' ' SER . 4.3 ptm180 -49.52 -39.9 35.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.466 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.2 m -81.92 -34.14 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.4 m-90 -79.93 0.24 32.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 108.032 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.0 m-30 -111.79 -39.42 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -98.77 1.11 45.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.506 ' O ' ' CG2' ' A' ' 11' ' ' THR . 0.6 OUTLIER -36.09 -33.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.454 ' CZ ' ' OD2' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -65.13 89.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.52 52.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 tt -52.92 -51.04 40.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 60.03 170.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -53.4 139.42 30.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.569 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.61 -56.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.3 134.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.58 96.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 p -135.16 97.3 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 69.6 t -68.23 -105.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.467 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 12.3 m120 -73.19 -54.39 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 54.67 71.46 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 m -78.24 118.92 20.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.942 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.95 153.93 14.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.59 101.67 2.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.86 12.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -153.13 130.56 11.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 177.41 118.57 0.17 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.0 132.92 15.96 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 73' ' ' PRO . 14.7 mttp -38.7 146.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.9 112.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 pttt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.569 0.223 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.69 142.14 55.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.03 104.8 0.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 176.28 147.14 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.13 -72.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -151.29 -87.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.07 -34.98 61.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.402 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER 40.54 59.31 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 8' ' ' LEU . 33.9 m-20 -178.99 42.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -77.48 -25.17 50.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.442 HG23 ' CG ' ' A' ' 54' ' ' GLU . 3.3 m -66.42 -53.98 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 15.8 tt0 -57.69 -22.51 46.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.62 -33.87 76.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.043 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.46 -28.55 61.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.55 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -83.21 -52.19 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -47.15 -23.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.69 HD21 ' N ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -72.86 -62.32 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.69 ' N ' HD21 ' A' ' 17' ' ' ASN . 92.1 t -61.7 -14.56 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.412 ' OD1' ' NE1' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -59.25 -15.42 15.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.93 -16.32 21.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -64.44 -99.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.33 178.21 4.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.57 -93.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.53 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . 172.94 55.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.558 ' CG1' HG23 ' A' ' 40' ' ' VAL . 1.4 t -114.15 -37.36 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.526 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -65.43 -11.83 46.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.526 ' CE1' ' HB1' ' A' ' 26' ' ' ALA . 2.8 m-85 -132.66 152.24 51.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.173 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.0 OUTLIER 89.08 -16.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.388 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -37.71 -28.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -49.35 -23.15 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.698 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -82.0 8.51 10.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 13.0 t-20 73.83 62.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.618 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -89.19 122.89 68.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.96 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.439 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.06 175.73 10.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.395 1.734 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.2 t -69.09 54.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.508 HG21 ' CB ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -145.8 158.03 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.492 1.12 . . . . 0.0 109.215 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.473 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -109.98 -34.53 6.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.59 -12.14 42.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.508 ' CB ' HG21 ' A' ' 36' ' ' ILE . . . -99.67 -19.88 16.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.558 HG23 ' CG1' ' A' ' 25' ' ' VAL . 1.0 OUTLIER -72.95 -38.72 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.99 -38.69 31.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' C ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -63.62 -29.81 71.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.456 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 15.5 mm-40 -87.02 -78.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -160.14 102.52 1.4 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.03 130.69 13.47 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -58.91 -46.66 87.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.65 ' CE1' HD21 ' A' ' 48' ' ' LEU . 16.6 p-80 -50.1 -37.31 33.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.65 HD21 ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -59.6 -23.15 62.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -62.98 -38.38 90.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.9 t -102.3 -28.61 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.068 . . . . 0.0 109.964 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.55 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -69.7 -28.09 65.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 107.995 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.511 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 23.8 t80 -100.11 -39.55 8.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -90.34 2.45 55.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' SER . 1.8 pm0 -35.42 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 53' ' ' ARG . 4.3 ttt85 -69.22 62.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 79.15 106.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.0 tt -119.08 -57.48 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 171.34 -161.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.345 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.5 107.2 7.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.576 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.33 156.28 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.42 -168.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 0.0 109.209 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.29 -97.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.242 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.12 123.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.416 ' CG1' ' OE2' ' A' ' 29' ' ' GLU . 73.9 t -82.21 -97.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.414 ' ND2' ' HB2' ' A' ' 26' ' ' ALA . 8.2 p30 -40.26 -43.11 1.64 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 tt 49.46 83.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 m -99.91 -86.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.947 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.485 ' O ' ' CD2' ' A' ' 69' ' ' LEU . 0.7 OUTLIER -168.49 177.82 5.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.49 ' CB ' ' HD3' ' A' ' 70' ' ' PRO . 0.0 OUTLIER -174.87 -59.24 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.49 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -74.96 154.65 42.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.557 1.82 . . . . 0.0 110.955 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.561 ' CD2' ' HD3' ' A' ' 73' ' ' PRO . 2.7 p90 -151.03 -47.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 111.042 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 71' ' ' TYR . 6.0 pt-20 29.47 91.94 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.561 ' HD3' ' CD2' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.98 73.53 4.28 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 166.58 175.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 172.17 104.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptt? . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.489 0.185 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 49.13 -175.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.59 1.181 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -128.71 125.83 38.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 1.07 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.33 91.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 mp 60.01 169.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.76 -50.4 63.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -174.91 -60.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 49.38 93.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -155.14 43.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.289 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -111.96 -12.81 13.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.469 ' CG2' ' CD ' ' A' ' 54' ' ' GLU . 2.3 m -66.69 -53.71 30.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -60.14 -24.29 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 35.5 ttm -63.85 -35.06 79.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -76.67 -26.47 54.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.582 ' HG3' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -84.94 -37.85 20.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.355 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -14.72 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -79.59 -68.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 21.4 t -59.19 -14.36 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.72 -32.18 18.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -26.57 62.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 22' ' ' ALA . . . -42.86 -72.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.227 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 21' ' ' ALA . . . 84.69 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 73.91 108.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.48 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -154.75 60.86 0.38 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.55 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 1.4 t -119.18 -64.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.72 -25.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.705 ' CE1' ' CB ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -72.74 -42.76 63.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.952 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.582 ' N ' ' CD1' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -177.33 130.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 0.0 109.347 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -103.72 -45.46 4.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.11 -70.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 110.285 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.639 ' CD2' ' CB ' ' A' ' 43' ' ' GLU . 1.1 p90 -62.42 -15.49 49.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 20.5 t30 62.06 62.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.491 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -86.52 168.88 16.78 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.05 -176.72 3.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.9 t -66.53 59.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -135.72 155.76 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.373 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.437 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -108.2 -40.88 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.42 -17.68 8.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.484 ' CB ' HG21 ' A' ' 36' ' ' ILE . . . -98.05 -13.98 20.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.55 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -75.92 -41.75 39.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.402 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CG ' ' HB3' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -76.01 -40.26 54.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -39.23 77.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.639 ' CB ' ' CD2' ' A' ' 31' ' ' TYR . 11.0 mm-40 -82.68 -67.71 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -151.92 102.41 2.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.246 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.521 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.2 Cg_endo -75.05 129.72 12.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.705 ' CB ' ' CE1' ' A' ' 27' ' ' PHE . 2.3 pm0 -61.42 -42.16 98.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.622 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 25.4 p-80 -54.61 -36.72 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.56 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.622 ' CD2' ' NE2' ' A' ' 47' ' ' HIS . 1.1 mm? -58.8 -22.63 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 3.6 ptm180 -62.38 -40.02 95.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 67.1 m -103.48 -27.74 12.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.582 ' CD2' ' HG3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -69.69 -24.08 63.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 8.3 t80 -106.37 -38.15 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.7 OUTLIER -92.57 1.35 57.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -34.35 -35.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -48.97 -70.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.56 97.14 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.3 tt -61.61 -57.05 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 109.326 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 67.8 -170.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -114.21 170.05 8.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.563 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.96 94.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 mp -118.42 -40.69 2.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -174.12 101.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.8 p -90.74 64.84 5.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 88.1 t -83.62 -106.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.44 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 0.9 OUTLIER -90.02 -39.65 12.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 tt 75.7 98.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -45.02 143.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.005 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -167.46 165.81 14.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt 62.22 113.11 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.153 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.96 141.73 27.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.79 . . . . 0.0 111.069 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -75.65 169.71 17.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -120.73 119.71 29.98 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -44.75 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.773 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.34 -71.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 70.12 92.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.369 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.498 0.189 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tp -58.6 157.61 8.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -149.42 -176.54 5.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -177.14 148.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -74.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 174.06 -94.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -29.8 61.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.9 mt 44.57 71.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 41.1 t0 178.33 47.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -80.88 -13.08 59.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.404 HG21 ' CG ' ' A' ' 54' ' ' GLU . 8.3 m -63.02 -46.48 87.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 17.0 tt0 -61.85 -18.81 61.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -34.68 73.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.353 1.033 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.46 -29.32 61.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -79.16 -51.77 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -49.14 -22.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.551 HD21 ' N ' ' A' ' 18' ' ' VAL . 1.5 t30 -77.8 -63.55 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.551 ' N ' HD21 ' A' ' 17' ' ' ASN . 88.8 t -56.0 -18.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -48.26 -24.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.79 -27.68 13.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -40.13 -67.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.15 -175.48 4.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.04 -169.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -127.58 53.34 0.8 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.13 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.525 ' CG1' HG21 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -116.92 -24.47 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.56 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.625 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -102.32 108.26 19.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.625 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER 154.23 -22.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -47.97 -16.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' C ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -43.99 -24.74 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.741 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -88.0 20.43 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 29' ' ' GLU . 17.7 t30 65.86 64.48 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.502 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.99 132.09 68.3 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.468 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 18.3 Cg_endo -74.96 176.41 9.94 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 36' ' ' ILE . 98.2 t -72.33 48.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.062 . . . . 0.0 109.315 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 37' ' ' ALA . 81.6 mt -146.84 165.25 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.494 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -105.66 -34.55 7.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' N ' HG21 ' A' ' 36' ' ' ILE . 15.7 tt0 -63.14 -18.26 63.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -80.56 -25.14 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.525 HG21 ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -71.15 -40.0 74.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.402 ' N ' HG11 ' A' ' 40' ' ' VAL . 3.3 mt-10 -85.67 -37.02 19.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 38' ' ' GLU . 10.9 ttt-85 -66.3 -25.75 66.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -97.23 -77.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.29 102.16 2.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.563 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.5 Cg_endo -75.01 131.14 13.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -59.12 -55.42 35.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.352 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.616 ' CE1' HD22 ' A' ' 48' ' ' LEU . 33.3 p-80 -43.2 -46.28 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.591 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.616 HD22 ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -47.35 -28.36 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.235 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.5 ptm180 -57.29 -41.14 79.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.5 p -100.85 -28.77 12.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.575 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -69.35 -30.26 68.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 34.7 t80 -94.71 -43.03 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -87.17 2.04 51.16 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -33.13 -37.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' ARG . 16.4 mtt180 -40.47 -40.13 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tp -133.2 84.83 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -53.61 -33.59 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.66 152.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.4 m80 66.05 91.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.556 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 10.6 mtp-105 -152.63 107.56 3.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 tt -173.84 147.16 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -177.0 -76.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.155 . . . . 0.0 109.349 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 t 53.84 99.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.45 ' CG1' ' OE2' ' A' ' 29' ' ' GLU . 16.1 t -113.37 -9.61 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.03 -67.66 0.81 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.52 -72.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.6 m 53.08 100.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.2 172.85 15.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.39 72.5 0.24 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.066 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -177.27 3.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -39.58 152.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -80.59 125.45 80.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.436 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.02 -174.8 2.07 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.567 1.825 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 168.23 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.99 118.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.379 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.373 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptp . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.537 0.208 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.9 165.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.244 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 6.7 ptmt -159.1 131.37 6.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.25 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 4.6 m-20 159.16 123.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -171.37 -171.1 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.58 99.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 7.4 tmtt? -174.27 -58.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER 163.48 77.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 50.17 45.55 25.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -114.23 1.84 14.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.248 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.8 m -63.65 -50.25 70.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.484 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.72 -27.17 67.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -34.18 76.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.08 -25.05 40.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -82.89 -55.72 4.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -42.61 -33.58 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -59.41 -68.93 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.6 t -51.55 -36.43 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.223 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -17.39 10.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.38 -19.65 45.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' O ' ' CB ' ' A' ' 22' ' ' ALA . . . -73.57 -102.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 21' ' ' ALA . . . 162.84 -165.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 63.61 144.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.512 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . 173.1 49.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.668 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -111.14 -75.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.563 0.802 . . . . 0.0 109.366 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' CB ' ' HB2' ' A' ' 66' ' ' LEU . . . -42.81 -53.84 4.41 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' ALA . 79.1 m-85 -36.37 -48.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 4.9 tttt -146.6 67.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.226 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.586 ' O ' ' N ' ' A' ' 31' ' ' TYR . 1.5 mm-40 -66.06 -41.08 91.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.435 ' C ' ' N ' ' A' ' 32' ' ' ASN . 0.2 OUTLIER 37.7 -89.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.586 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.1 p90 -47.09 -19.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 30' ' ' ARG . 19.6 t-20 65.25 60.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.449 ' SD ' ' CB ' ' A' ' 39' ' ' ALA . 2.8 mmt -82.96 164.71 45.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.611 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 -177.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.39 63.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.611 ' N ' ' O ' ' A' ' 34' ' ' PRO . 1.0 OUTLIER -138.76 154.62 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' VAL . . . -107.38 -48.25 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -44.77 -42.19 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.521 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -72.28 -34.17 68.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.668 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -57.64 -40.71 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.26 -37.37 53.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -43.09 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.237 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.573 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 3.0 mm-40 -81.64 -76.39 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -158.68 116.17 1.7 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.623 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.5 Cg_endo -74.92 129.59 12.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.562 1.822 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.9 OUTLIER -58.29 -58.51 8.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.623 ' CE1' ' HB2' ' A' ' 45' ' ' PRO . 41.2 p-80 -41.15 -50.77 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.564 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.602 HD21 ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -41.93 -29.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.523 ' CG ' ' N ' ' A' ' 50' ' ' SER . 5.1 ptm180 -57.68 -44.01 85.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.523 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.1 m -101.15 -27.26 13.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.987 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -68.63 -29.65 68.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 9.4 t80 -96.57 -43.17 7.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -86.19 1.36 51.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' HA ' ' CG2' ' A' ' 57' ' ' ILE . 3.0 pt-20 -33.82 -36.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.9 ttt180 -49.11 -58.61 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.25 66.21 1.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 54' ' ' GLU . 20.5 pt -49.25 -50.32 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.428 ' N ' HG13 ' A' ' 57' ' ' ILE . . . 46.81 59.48 3.94 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -67.15 162.23 22.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -149.35 -89.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.073 . . . . 0.0 110.339 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -174.23 168.4 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 66.34 102.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 p -108.83 -73.34 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.412 ' CB ' ' O ' ' A' ' 26' ' ' ALA . 80.1 t -150.43 -99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -120.33 -52.81 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.442 ' HB2' ' CB ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -88.87 50.57 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 m -57.53 -164.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -39.69 142.23 0.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 mt -138.67 158.62 69.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.91 7.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -160.05 169.31 23.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.609 1.193 . . . . 0.0 111.074 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -169.42 96.66 0.5 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -54.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 4.0 ttmt 66.73 157.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.8 OUTLIER 86.16 123.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.8 tptp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mpp? . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.4 0.143 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 72.25 -168.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.597 1.186 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.4 mttm 68.17 143.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -92.46 137.13 32.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.469 ' CD2' ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -178.11 179.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.22 -102.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 10' ' ' GLN . 8.6 ttmt -174.17 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.221 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 mt 46.65 52.27 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 11' ' ' THR . 5.5 m-20 47.74 34.56 3.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER 39.1 28.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.481 ' CG2' ' HG2' ' A' ' 54' ' ' GLU . 2.0 m -109.91 -43.5 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.454 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -78.65 -9.09 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -33.84 27.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -69.03 -33.27 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -81.28 -40.15 24.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.95 -16.27 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' C ' ' ND2' ' A' ' 17' ' ' ASN . 1.1 t30 -90.85 -51.21 5.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 22' ' ' ALA . 42.0 t -61.84 -14.13 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' VAL . 1.3 t70 -38.42 -31.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -91.22 -46.71 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.182 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -61.7 -13.84 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.477 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -38.47 141.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.43 -155.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -146.81 -82.37 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.489 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 1.8 t -110.78 -20.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.57 0.806 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -35.99 -57.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -124.15 48.81 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.56 ' O ' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -141.79 40.21 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.7 OUTLIER -86.03 1.68 49.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' C ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -35.45 -85.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.58 ' CD2' ' HB3' ' A' ' 43' ' ' GLU . 1.2 p90 -46.17 -20.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' GLU . 19.4 t30 63.78 61.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.43 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -84.07 173.13 7.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.01 -178.02 3.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.7 59.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.6 OUTLIER -135.73 154.23 34.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.45 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -106.22 -36.71 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.57 -16.62 26.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.498 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . -100.52 -4.63 28.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.489 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -84.56 -37.16 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.4 -37.01 22.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.518 ' C ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -64.98 -33.74 76.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.58 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 54.3 mm-40 -74.82 -78.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -161.04 97.84 1.33 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.512 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.06 132.48 15.39 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.529 1.805 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -59.18 -37.44 77.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.663 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 10.4 p-80 -60.5 -18.92 55.02 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.663 ' CD2' ' NE2' ' A' ' 47' ' ' HIS . 1.2 mm? -86.16 -60.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -54.87 -31.38 59.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 49' ' ' ARG . 2.0 t -77.92 -38.08 46.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.634 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.2 m-90 -81.49 -2.89 51.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 107.982 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.522 ' CE2' HD12 ' A' ' 48' ' ' LEU . 1.1 m-85 -110.02 -44.6 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -90.9 0.47 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' HG2' ' CG2' ' A' ' 11' ' ' THR . 6.8 pm0 -36.52 -33.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 53' ' ' ARG . 34.9 mtm-85 -53.01 -53.98 42.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -119.77 65.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.327 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 tp -58.75 -39.21 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 57.38 -172.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -57.78 111.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.619 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -95.35 138.71 32.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.73 174.62 10.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -179.98 103.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.29 73.16 1.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 109.924 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 82.4 t -125.88 -106.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 66' ' ' LEU . 6.0 m-20 -69.78 -74.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 65' ' ' ASN . 0.4 OUTLIER 87.12 -48.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 m 63.54 -177.1 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -112.51 143.2 44.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.91 131.56 94.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -165.65 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.21 -59.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 61.12 77.16 0.37 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.9 5.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.73 147.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.6 106.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tttt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.48 0.181 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 178.07 117.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.49 -168.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 179.22 87.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.403 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -174.95 65.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 5' ' ' LEU . . . 169.82 106.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.03 -52.93 5.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.413 1.071 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mt 51.42 96.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 10' ' ' GLN . 2.5 t70 -96.1 35.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.415 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 0.8 OUTLIER 80.8 -50.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 110.33 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.52 ' CG2' ' CD ' ' A' ' 54' ' ' GLU . 6.4 m -59.47 -43.03 93.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 15.0 tt0 -73.0 -8.15 54.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -83.8 -26.09 29.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' N ' ' HG3' ' A' ' 13' ' ' MET . 39.6 t0 -79.07 -29.75 43.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.633 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.15 -57.14 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -38.03 -36.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.403 ' N ' HG11 ' A' ' 16' ' ' VAL . 5.2 t-20 -63.14 -68.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 49.1 t -45.1 -27.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 17' ' ' ASN . 3.0 t70 -53.01 -42.71 65.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.34 -22.88 61.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.05 -72.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' O ' ' CB ' ' A' ' 23' ' ' ALA . . . 171.78 136.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 22' ' ' ALA . . . 169.22 82.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.463 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -142.21 -79.46 0.05 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.514 ' CG1' ' SD ' ' A' ' 33' ' ' MET . 2.1 t -109.12 -20.81 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.57 -29.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.552 ' CD2' ' N ' ' A' ' 28' ' ' LYS . 57.3 t80 -140.69 174.58 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.552 ' N ' ' CD2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER 88.44 -24.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.1 OUTLIER -37.99 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -49.08 -22.29 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.757 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -85.75 15.8 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.47 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 12.9 t-20 65.34 63.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.616 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.22 123.65 72.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.432 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.02 177.01 9.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.0 m -68.53 55.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.47 HG21 ' CB ' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -145.37 158.13 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.461 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -111.8 -37.18 5.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.76 -13.34 22.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.47 ' CB ' HG21 ' A' ' 36' ' ' ILE . . . -99.07 -18.41 17.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.504 HG21 ' CG1' ' A' ' 25' ' ' VAL . 1.2 t -71.58 -38.02 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.65 -36.32 18.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 110.343 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.9 ttp85 -67.9 -32.04 72.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -80.7 -75.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.349 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.37 108.06 5.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.635 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.4 Cg_endo -75.06 79.57 2.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -28.17 -58.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.684 ' CD2' HD21 ' A' ' 48' ' ' LEU . 34.9 p-80 -45.78 -49.29 15.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.62 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.684 HD21 ' CD2' ' A' ' 47' ' ' HIS . 3.5 mm? -45.4 -29.88 1.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.525 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -55.12 -40.71 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 49.9 m -104.61 -25.86 12.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.633 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -73.62 -24.5 60.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 108.061 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 14.9 t80 -105.47 -39.34 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -90.95 1.3 57.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.52 ' CD ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -33.56 -36.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 53' ' ' ARG . 42.8 mtt180 -42.53 -64.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -142.72 78.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.31 -29.16 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -41.37 109.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -149.32 -83.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.539 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -176.55 133.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.42 ' CD1' ' C ' ' A' ' 61' ' ' LEU . 1.9 tm? -148.22 112.81 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' A' ' 63' ' ' SER . . . -62.99 -99.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.393 1.058 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 62' ' ' ALA . 3.2 p 165.3 124.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.552 HG23 ' CD1' ' A' ' 27' ' ' PHE . 74.6 t -76.02 -101.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.246 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.401 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 0.6 OUTLIER -79.26 -71.21 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 tp 70.1 78.48 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.5 m -115.45 119.23 35.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.002 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -161.39 137.6 8.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -178.18 89.81 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.221 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 177.76 8.17 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.513 1.796 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -166.18 -176.45 3.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 67.24 85.43 0.15 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -74.99 -40.69 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.478 1.778 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 163.63 -78.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 57.63 79.75 0.19 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.507 0.194 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.8 mt -67.08 162.75 21.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -117.21 135.61 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 3' ' ' LYS . 4.0 m120 -163.63 149.39 11.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.74 170.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 71.63 75.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -73.83 -26.4 60.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tp 65.28 101.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 178.04 45.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.88 -17.8 61.0 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.586 1.179 . . . . 0.0 110.323 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 55' ' ' ARG . 88.7 m -67.7 -52.27 39.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.452 ' CB ' ' OE1' ' A' ' 54' ' ' GLU . 9.8 tt0 -57.33 -28.73 63.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -34.66 73.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -83.84 -25.87 29.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.594 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.18 -39.85 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.413 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.7 -14.74 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.676 HD21 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -87.89 -62.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.676 ' N ' HD21 ' A' ' 17' ' ' ASN . 25.1 t -59.52 -15.23 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -55.35 -18.38 6.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -105.03 -21.19 13.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.243 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -39.33 -89.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.52 -166.36 1.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.107 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.7 -101.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -176.83 50.28 0.11 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.526 ' CG1' HG21 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -116.07 -72.42 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.439 0.729 . . . . 0.0 109.222 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.05 -42.42 6.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -57.11 -37.37 71.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' VAL . 3.2 tptt -178.65 124.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.592 ' O ' ' CG ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -104.62 -46.14 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.08 -79.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.656 ' CD2' ' CB ' ' A' ' 43' ' ' GLU . 1.4 p90 -53.16 -17.35 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 62.05 61.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.458 ' CG ' ' CD1' ' A' ' 31' ' ' TYR . 3.0 mmt -84.47 164.65 42.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.593 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.95 -177.76 3.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.2 m -61.71 69.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.603 ' CG2' ' H ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -145.78 156.2 12.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.431 ' O ' ' HB ' ' A' ' 40' ' ' VAL . . . -109.84 -40.1 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -49.55 69.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.603 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -66.49 -25.15 66.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.526 HG21 ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -67.93 -41.16 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' CG ' ' HG3' ' A' ' 45' ' ' PRO . 0.9 OUTLIER -74.42 -35.54 63.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.233 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -58.97 -36.22 74.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.656 ' CB ' ' CD2' ' A' ' 31' ' ' TYR . 19.9 mm-40 -81.83 -80.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.99 97.76 0.75 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.598 1.186 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.503 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.6 Cg_endo -74.88 130.7 13.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 4.4 tm-20 -61.78 -41.83 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.692 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 30.7 p-80 -58.22 -15.82 11.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.613 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.617 ' CD2' ' NE2' ' A' ' 47' ' ' HIS . 2.3 mm? -87.88 -54.88 4.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.0 ptm180 -47.43 -36.54 10.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' GLU . 2.9 t -82.16 -37.49 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.692 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.0 OUTLIER -72.89 -12.02 60.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 108.021 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -98.8 -36.18 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -99.18 -0.93 40.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -47.74 -64.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER 34.54 -94.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 54' ' ' GLU . 1.4 tp -144.7 48.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.0 tt -96.57 -39.49 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 65.6 173.29 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.1 m170 68.19 175.03 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' N ' ' CD ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -171.05 165.68 7.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.3 mt -141.68 148.59 39.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -173.69 100.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 p -163.09 52.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.4 t -104.84 -10.46 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.368 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -120.51 -67.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 73.34 58.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 m -53.8 166.13 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.948 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -165.57 96.86 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.87 91.51 2.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.18 28.85 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -116.12 168.92 9.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -131.81 128.11 21.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.03 104.06 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -39.01 140.48 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER 168.09 103.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.369 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.524 0.202 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 tp -163.29 134.7 4.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 5' ' ' LEU . 3.4 pttt -140.25 150.06 43.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -65.77 77.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -174.22 117.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 5' ' ' LEU . . . 165.8 99.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.673 ' O ' ' N ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -74.89 -27.29 60.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.17 61.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.393 1.058 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.673 ' N ' ' O ' ' A' ' 7' ' ' LYS . 40.3 p30 -162.89 40.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 -89.71 3.8 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.9 m -53.68 -23.62 12.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -72.67 -26.76 61.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.0 ttp -61.84 -40.22 94.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.36 -27.31 59.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.583 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -79.61 -45.47 19.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -50.52 -22.84 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 19' ' ' ASP . 1.8 t-20 -85.52 -72.06 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.456 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 52.6 t -44.44 -26.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.42 ' N ' ' C ' ' A' ' 17' ' ' ASN . 3.4 t70 -39.73 -61.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 21' ' ' ALA . 3.9 pp -69.5 -44.07 71.83 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.06 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.82 166.56 10.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.95 -88.53 0.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . 165.29 42.6 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.519 ' HA ' HG23 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -118.8 -37.1 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -36.86 -51.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.595 ' CZ ' ' CD ' ' A' ' 46' ' ' GLU . 7.6 p90 -131.61 59.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -139.91 25.01 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.519 ' CD ' ' CG1' ' A' ' 64' ' ' VAL . 0.0 OUTLIER -96.22 0.92 51.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -58.58 -26.45 63.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.602 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 6.2 p90 -99.65 21.65 12.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.431 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 16.2 t-20 63.65 62.48 0.92 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.22 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.598 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.82 134.37 60.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.03 172.69 15.87 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.7 t -70.42 54.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.532 HG21 ' N ' ' A' ' 37' ' ' ALA . 71.3 mt -145.02 158.53 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.532 ' N ' HG21 ' A' ' 36' ' ' ILE . . . -95.94 -39.08 9.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.404 ' N ' HG21 ' A' ' 36' ' ' ILE . 27.6 tt0 -61.24 -48.01 83.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 110.259 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.477 ' HA ' ' CD ' ' A' ' 42' ' ' ARG . . . -55.25 -24.85 30.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 109.378 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.519 HG23 ' HA ' ' A' ' 25' ' ' VAL . 1.1 t -75.45 -32.42 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -88.26 -36.28 16.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.477 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 2.4 ptm180 -63.15 -29.7 71.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.591 ' OE1' ' CD1' ' A' ' 31' ' ' TYR . 2.6 mm-40 -88.01 -81.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.72 94.54 1.67 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.503 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.01 131.32 14.15 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.595 ' CD ' ' CZ ' ' A' ' 27' ' ' PHE . 2.4 pp20? -61.87 -39.94 93.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.709 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 16.1 p-80 -59.68 -15.23 18.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.574 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.626 ' CD2' ' NE2' ' A' ' 47' ' ' HIS . 2.0 mm? -87.77 -47.96 8.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.7 ptm180 -51.54 -36.97 47.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 2.7 m -83.95 -34.41 24.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.709 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.0 OUTLIER -73.67 -9.87 59.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 108.058 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 1.5 m-85 -103.96 -38.19 7.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.0 ttp180 -97.68 1.0 48.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 53' ' ' ARG . 5.4 pt-20 -36.37 -33.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ARG . 7.2 ttp180 -44.09 -52.15 7.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.347 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -164.52 79.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 58' ' ' ALA . 13.2 tt -96.87 -50.52 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.416 ' N ' HG22 ' A' ' 57' ' ' ILE . . . 48.74 -165.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.567 ' O ' ' C ' ' A' ' 60' ' ' ARG . 0.5 OUTLIER 57.21 39.12 28.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.567 ' C ' ' O ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER 23.98 -95.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 59' ' ' HIS . 0.4 OUTLIER -158.03 -169.64 2.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.77 -105.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.7 t 172.9 120.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.557 1.161 . . . . 0.0 109.934 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.519 ' CG1' ' CD ' ' A' ' 29' ' ' GLU . 77.2 t -131.54 -104.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 1.8 p-10 -40.63 -57.48 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' A' ' 65' ' ' ASN . 1.4 tp 85.63 -48.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m 55.89 -92.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.918 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.91 161.52 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 1.6 pt? -108.2 143.38 27.3 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.08 121.62 6.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 10.9 p90 -124.31 123.68 40.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -123.97 101.63 35.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 148.95 36.26 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.481 1.779 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.03 167.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 175.33 114.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 mtt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.498 0.19 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.01 -85.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.38 -76.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t30 174.01 150.71 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' A' ' 6' ' ' ALA . 4.3 pp -114.27 -58.67 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.466 ' N ' ' CD1' ' A' ' 5' ' ' LEU . . . 40.19 78.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -34.03 61.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 9' ' ' ASP . 2.3 mt 52.65 95.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER 159.09 57.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -97.39 -18.63 18.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.37 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.48 HG21 ' CA ' ' A' ' 55' ' ' ARG . 2.1 m -70.5 -62.42 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -58.85 -22.43 58.94 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -35.46 78.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -72.62 -27.83 62.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.611 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -86.42 -38.88 16.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 109.323 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -59.33 -15.76 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.684 HD21 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -75.67 -62.65 1.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.684 ' N ' HD21 ' A' ' 17' ' ' ASN . 78.1 t -54.81 -20.21 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -47.3 -49.66 23.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -28.22 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 18' ' ' VAL . . . -63.26 -56.02 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 21' ' ' ALA . . . 82.19 -69.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.15 153.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.456 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -137.34 -84.02 0.13 Allowed Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.503 ' CG1' ' SD ' ' A' ' 33' ' ' MET . 1.8 t -106.47 -43.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.632 0.842 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -38.13 -31.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' VAL . 31.8 t80 -131.55 169.77 15.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 75.5 1.51 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.421 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.1 OUTLIER -65.87 -3.63 5.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -14.44 9.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.714 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -91.39 12.33 20.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.451 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 20.7 t30 64.66 65.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.17 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.604 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.05 126.73 83.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 111.049 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.93 177.7 8.22 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 50.2 t -66.59 56.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 34' ' ' PRO . 1.0 OUTLIER -150.28 159.49 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.489 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -111.77 -35.88 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.23 -8.91 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.484 ' O ' ' CG ' ' A' ' 43' ' ' GLU . . . -105.67 -1.6 24.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.5 HG22 ' CG1' ' A' ' 25' ' ' VAL . 1.2 t -84.02 -37.22 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.6 -30.88 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -24.42 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.243 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.58 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 8.6 mm-40 -73.62 -81.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.74 120.68 0.94 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.748 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.0 Cg_endo -75.03 79.07 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -31.94 -36.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.611 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 8.4 p-80 -55.11 -12.19 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.596 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.748 ' N ' ' O ' ' A' ' 45' ' ' PRO . 3.5 mm? -82.87 -45.82 13.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 4.6 ptm180 -49.98 -37.1 30.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.7 m -83.25 -33.95 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.611 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -76.73 -11.14 59.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 108.007 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.0 m-85 -100.6 -39.28 7.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -101.41 0.26 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 0.0 110.4 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -34.73 -83.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.48 ' CA ' HG21 ' A' ' 11' ' ' THR . 3.4 ttm180 39.85 28.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER 76.67 52.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' GLU . 1.4 tt -107.82 -24.74 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.63 153.53 13.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -172.96 68.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.617 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.468 ' O ' ' CD2' ' A' ' 61' ' ' LEU . 0.2 OUTLIER 65.92 139.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.242 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.468 ' CD2' ' O ' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -159.04 121.25 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.224 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -164.76 96.31 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.43 -42.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 69.9 t -41.72 -90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -83.89 -53.38 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.2 tp -176.67 -75.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.6 m 64.97 93.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.053 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -129.25 178.44 6.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.358 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.94 161.03 66.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 146.26 32.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -101.6 171.88 7.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -51.95 115.09 6.11 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -74.92 -45.49 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 1.2 mmtp 162.44 162.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.353 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.412 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER 81.72 106.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.557 0.217 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mt -149.87 175.42 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.378 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -105.26 104.3 14.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -64.94 149.24 50.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mt -42.28 162.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.132 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.39 -59.75 0.81 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -176.98 -50.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 9' ' ' ASP . 0.2 OUTLIER 80.89 72.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER 156.64 57.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -117.78 13.19 14.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.9 m -72.09 -35.71 69.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.49 -25.75 67.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mmm -62.4 -35.69 79.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -78.65 -29.68 45.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.354 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.578 ' HG3' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -77.25 -38.31 51.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -11.72 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -97.62 -57.0 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.7 t -57.89 -16.07 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -58.16 -16.78 14.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -100.03 -4.33 30.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 20' ' ' LEU . . . -44.68 -94.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.93 76.98 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 40.68 -154.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -143.64 67.12 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.117 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.514 ' CG1' HG23 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -120.67 -40.69 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.76 -71.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -97.38 47.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 110.992 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 1.1 tpmp? -129.5 4.89 5.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.081 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 33' ' ' MET . 0.2 OUTLIER -75.59 2.33 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.268 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -21.84 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.682 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 1.3 p90 -108.71 24.5 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 111.017 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 16.3 t-20 64.61 65.38 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.511 ' CE ' ' O ' ' A' ' 36' ' ' ILE . 7.1 tpt -83.44 124.78 75.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -74.99 178.7 6.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.4 m -68.1 59.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.511 ' O ' ' CE ' ' A' ' 33' ' ' MET . 49.3 mt -145.12 161.84 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.474 ' N ' HG21 ' A' ' 36' ' ' ILE . . . -120.95 -17.21 7.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.37 1.16 56.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.491 ' HA ' ' CD ' ' A' ' 42' ' ' ARG . . . -106.22 -14.26 15.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.514 HG23 ' CG1' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -76.38 -37.24 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.49 -37.17 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.491 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 5.2 ptm180 -62.29 -33.06 73.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.512 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 18.9 mm-40 -86.99 -80.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -162.4 98.08 1.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.543 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.3 Cg_endo -74.93 132.54 15.63 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.79 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -60.4 -46.62 89.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.675 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 32.4 p-80 -53.52 -18.22 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.647 ' CD2' ' NE2' ' A' ' 47' ' ' HIS . 1.8 mm? -86.63 -59.27 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.4 ptm180 -50.58 -37.3 39.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.7 t -75.64 -39.79 57.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.675 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.1 m-90 -75.38 -10.76 59.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 107.975 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CE1' HD11 ' A' ' 48' ' ' LEU . 2.4 m-85 -100.66 -41.1 7.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.538 ' CG ' ' O ' ' A' ' 53' ' ' ARG . 9.0 ttt180 -97.69 -1.99 42.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.269 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -34.8 -92.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.547 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 25.78 88.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 110.223 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' ARG . 1.1 mt 38.37 87.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.37 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.437 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 1.1 pt -108.65 -52.75 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 54.16 76.86 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.39 168.98 18.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.53 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.75 174.71 10.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 1.06 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 4.5 mp -108.85 -176.68 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 63' ' ' SER . . . -104.85 -76.22 0.61 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 62' ' ' ALA . 2.3 p 164.46 70.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.528 ' HB ' ' CG ' ' A' ' 27' ' ' PHE . 2.8 t -97.9 -10.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.95 -67.6 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.178 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 tt -171.81 -55.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.2 m 62.07 138.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -165.6 156.73 13.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.86 146.58 97.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 178.07 7.76 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.77 138.14 43.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.34 111.41 3.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.1 Cg_endo -74.9 -2.16 12.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.416 1.746 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -38.6 139.42 0.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.416 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER 168.85 112.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 0.0 109.265 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.544 0.211 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -167.97 178.39 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.25 132.35 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.75 150.79 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.23 112.57 16.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -179.21 86.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' O ' ' CD1' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -86.89 -51.38 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 7' ' ' LYS . 1.3 tp 173.1 107.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 60.98 40.78 14.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.36 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' A' ' 13' ' ' MET . 1.1 tt0 -74.4 -2.66 26.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.471 ' CG2' ' OE2' ' A' ' 54' ' ' GLU . 16.4 m -95.32 -25.57 16.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -81.34 -15.03 56.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.067 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -74.38 -31.02 62.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -74.57 -30.04 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.587 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -81.11 -52.72 7.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -41.18 -32.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 15' ' ' LYS . 6.1 t-20 -66.88 -66.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 21' ' ' ALA . 40.0 t -57.88 -16.74 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 17.8 t70 -40.72 -29.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' N ' ' C ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -82.11 -48.25 11.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -59.83 -16.4 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' ALA . . . -39.12 155.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.37 -158.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.22 -85.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.54 ' CG1' ' CG2' ' A' ' 40' ' ' VAL . 0.6 OUTLIER -109.25 -14.43 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.496 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -32.81 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.483 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 4.1 p90 -124.34 160.25 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER 87.32 7.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.594 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -38.01 -48.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.244 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 59.57 -71.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 110.268 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.616 ' CD1' ' HB2' ' A' ' 33' ' ' MET . 2.7 p90 -67.03 -18.01 65.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 22.1 t30 62.15 64.74 0.94 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.616 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 4.7 tpp -80.05 138.69 53.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.607 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.01 -174.09 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -41.68 89.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 109.345 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.607 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -179.17 149.73 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.45 -18.88 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.65 -48.26 55.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.306 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.469 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -74.49 -2.87 27.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.54 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -80.24 -49.5 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.55 -33.78 47.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -32.66 73.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 13.2 mm-40 -75.47 -77.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.36 116.14 2.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 110.207 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.619 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.2 Cg_endo -75.02 132.82 15.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.64 ' O ' ' N ' ' A' ' 49' ' ' ARG . 1.1 mp0 -58.02 -65.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.624 ' CE1' HD21 ' A' ' 48' ' ' LEU . 43.1 p-80 -36.3 -52.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.594 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.624 HD21 ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -41.65 -28.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.64 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.5 ptm180 -59.65 -43.76 93.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 2.9 m -102.65 -22.79 13.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.587 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -71.56 -20.66 61.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.006 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -113.98 -30.27 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -103.13 2.43 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.389 1.056 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.571 ' CB ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -30.69 -40.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.524 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER 29.02 -142.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.28 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.6 45.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 58' ' ' ALA . 2.8 tt -40.61 -74.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 57' ' ' ILE . . . 84.79 -48.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -162.63 141.02 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.617 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -179.26 174.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -170.61 151.69 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -158.05 -63.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.371 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 t 62.4 120.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.03 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 70.2 t -95.71 -105.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.455 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 1.3 t-20 -49.93 -69.2 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.7 tp -173.82 92.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 m -78.81 169.22 18.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.63 127.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 pp -81.77 154.02 70.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 134.81 18.28 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -108.83 135.83 49.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.1 112.08 54.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -75.05 120.08 5.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 110.946 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -38.85 144.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 175.95 90.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.503 0.192 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tp 72.59 -75.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.6 mttm 49.01 95.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.471 ' O ' ' CD2' ' A' ' 5' ' ' LEU . 10.7 p-10 -173.03 106.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -147.26 136.79 22.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -141.69 58.5 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' CE ' ' HG3' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -73.87 -25.17 59.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER 60.0 62.28 1.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 1.3 m-20 155.94 63.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.435 ' HG3' ' CE ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -111.08 -0.45 16.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.333 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 29.7 m -83.86 -47.91 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.427 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -61.13 -26.31 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.363 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -34.23 75.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -80.24 -25.89 39.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -82.17 -40.09 22.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.8 -18.22 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -75.38 -70.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' ALA . 72.2 t -50.81 -32.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -40.62 -51.97 2.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.402 HD13 ' N ' ' A' ' 21' ' ' ALA . 2.8 pp -46.43 -45.39 18.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -70.97 -65.63 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 64.73 123.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -177.62 67.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' C ' ' HB2' ' A' ' 28' ' ' LYS . . . -115.55 55.25 0.55 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.515 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -122.87 -78.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.4 0.706 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.62 -46.27 79.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -89.94 32.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -165.63 27.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.563 ' O ' ' N ' ' A' ' 31' ' ' TYR . 5.9 mt-10 -35.08 -48.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 61.28 -69.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 47.9 p90 -110.26 32.32 5.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.434 1.084 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 19.2 t30 54.58 62.78 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -76.27 149.71 82.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.0 178.12 7.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 m -68.14 60.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 34' ' ' PRO . 56.9 mt -142.31 151.77 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.515 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . . . -103.24 -26.52 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -83.14 1.68 39.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.437 ' O ' ' OH ' ' A' ' 31' ' ' TYR . . . -100.54 -41.36 7.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.506 ' CG2' ' HA ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -56.02 -37.43 48.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -84.05 -38.25 21.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -59.29 -32.39 70.0 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 2.5 mm-40 -94.42 -80.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.94 110.81 3.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.58 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.0 Cg_endo -74.99 80.04 2.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 45.7 tt0 -45.74 -25.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.787 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 47.6 p-80 -74.3 -21.55 59.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.607 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.787 ' CD2' ' CD2' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -77.82 -47.97 17.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 50' ' ' SER . 2.8 ptm180 -41.86 -35.12 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.464 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 0.9 OUTLIER -82.41 -40.13 21.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.566 1.166 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.3 m-90 -79.34 0.78 27.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 108.03 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.8 m-30 -114.32 -45.94 3.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.5 ttp180 -89.62 0.28 57.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' O ' ' CG2' ' A' ' 11' ' ' THR . 3.0 pt-20 -37.44 -31.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.5 tpp180 -71.7 84.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mt 62.72 82.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 tt -115.08 -37.95 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 109.38 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 60.6 60.04 2.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.22 173.02 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.64 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.74 -76.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 pp -165.46 -169.91 1.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' A' ' 63' ' ' SER . . . -133.58 -70.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 62' ' ' ALA . 4.0 t 78.76 76.14 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.618 1.199 . . . . 0.0 109.919 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 86.9 t -97.99 -106.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.45 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 0.2 OUTLIER -60.04 -49.36 77.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.37 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 0.6 OUTLIER 66.33 84.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 m -153.32 120.18 5.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.402 ' CD ' ' HD3' ' A' ' 70' ' ' PRO . 7.8 tmm_? -175.62 142.98 0.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -169.56 89.97 0.56 Allowed Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.402 ' HD3' ' CD ' ' A' ' 68' ' ' ARG . 18.5 Cg_endo -75.02 174.6 12.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -177.07 170.04 2.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 111.052 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.13 149.0 72.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -71.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -177.33 139.76 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.21 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 tp 73.76 120.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.493 0.187 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mt -116.85 144.86 44.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -56.66 167.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 179.63 144.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.204 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.88 165.04 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -169.64 85.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -172.48 -60.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 45.45 88.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -177.54 55.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -112.08 -18.97 12.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.515 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 2.3 m -62.78 -28.19 69.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -80.26 -9.4 59.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -37.54 31.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -65.15 -34.96 79.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.612 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -79.71 -46.24 17.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -47.01 -32.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -68.14 -67.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' ALA . 46.9 t -55.37 -18.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' VAL . 39.9 t0 -38.42 -51.58 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mp -51.69 -48.9 63.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.354 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -74.17 -89.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 72.77 160.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.79 -170.91 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' C ' HG11 ' A' ' 40' ' ' VAL . . . -153.42 -84.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -106.77 -14.83 9.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.417 0.716 . . . . 0.0 109.292 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -36.71 -35.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.574 ' CE2' ' HG3' ' A' ' 46' ' ' GLU . 1.9 m-85 -57.83 -49.89 75.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' VAL . 17.3 tptt 76.1 2.98 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -121.12 -10.72 8.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.696 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -35.18 94.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 30' ' ' ARG . 43.9 p90 40.74 34.75 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 17.7 t-20 64.51 57.82 1.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.568 ' CE ' ' HB ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -78.48 140.24 59.91 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.55 ' N ' ' HG3' ' A' ' 33' ' ' MET . 18.4 Cg_endo -75.04 -174.07 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.37 57.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.568 ' HB ' ' CE ' ' A' ' 33' ' ' MET . 79.5 mt -146.58 155.22 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.516 ' N ' HG21 ' A' ' 36' ' ' ILE . . . -117.28 -19.65 9.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.22 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 25.6 tt0 -76.44 -12.16 60.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.533 ' CB ' ' CE ' ' A' ' 33' ' ' MET . . . -101.71 -17.94 16.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.534 ' CG2' ' SD ' ' A' ' 33' ' ' MET . 0.9 OUTLIER -67.75 -29.87 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.43 -36.55 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.459 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 3.0 ptm180 -66.17 -32.86 74.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 6.0 mm-40 -85.47 -80.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -159.47 99.95 1.54 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.01 137.08 21.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.575 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 1.8 tm-20 -55.06 -52.17 64.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.671 ' CE1' HD22 ' A' ' 48' ' ' LEU . 11.1 p-80 -47.56 -22.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.649 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.671 HD22 ' CE1' ' A' ' 47' ' ' HIS . 0.4 OUTLIER -85.21 -66.51 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -50.5 -33.27 20.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -72.25 -45.37 60.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.612 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.2 m-90 -75.63 -6.23 49.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 107.983 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 1.3 m-85 -101.75 -42.38 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -89.17 -4.75 58.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.515 ' O ' ' CG2' ' A' ' 11' ' ' THR . 14.1 pt-20 -41.54 -40.22 1.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -45.96 -34.61 4.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.348 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -112.09 -73.93 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -39.19 -47.46 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' CB ' HG21 ' A' ' 11' ' ' THR . . . 39.45 62.71 1.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ALA . 33.6 t-80 39.3 85.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 109.683 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -76.16 -31.84 58.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.451 ' CB ' ' O ' ' A' ' 60' ' ' ARG . 0.4 OUTLIER 167.19 179.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.43 1.081 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' A' ' 63' ' ' SER . . . -70.6 -59.61 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.373 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 62' ' ' ALA . 1.6 t 81.77 -60.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 93.6 t -97.97 -107.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.441 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 0.5 OUTLIER -100.9 -70.84 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 40.88 62.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.99 175.76 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -176.45 114.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.32 112.99 8.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.08 41.37 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -125.57 167.72 14.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.94 101.82 0.33 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.98 109.07 2.86 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' PRO . 21.7 tttp -39.06 -58.95 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.7 tp 57.67 97.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.51 0.195 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.78 112.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -179.03 -53.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -43.56 132.49 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 6' ' ' ALA . 0.5 OUTLIER -175.75 142.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 5' ' ' LEU . . . 169.18 108.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.39 -63.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 45.89 91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 174.07 56.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -106.62 -9.54 16.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 m -66.62 -54.49 22.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -60.97 -24.01 65.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -34.66 78.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -78.96 -26.98 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.547 ' HG3' ' CE3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -79.4 -53.59 6.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.175 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.1 -25.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.646 HD21 ' N ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -76.04 -59.61 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.374 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.646 ' N ' HD21 ' A' ' 17' ' ' ASN . 36.6 t -65.01 -10.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -40.46 -29.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -82.7 -48.23 11.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -62.45 -19.91 64.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 23' ' ' ALA . . . -39.53 -56.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 22' ' ' ALA . . . 83.97 -72.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.413 ' C ' HG12 ' A' ' 40' ' ' VAL . . . 110.54 -35.14 4.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.538 ' O ' ' N ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -112.75 -12.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -34.14 -33.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' VAL . 46.6 m-85 -104.66 -43.54 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 0.1 OUTLIER 37.85 31.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -120.7 -38.85 2.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 110.251 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -33.72 -35.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.591 ' CD2' ' HB2' ' A' ' 33' ' ' MET . 0.5 OUTLIER -124.77 -9.14 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 15.4 t30 58.26 65.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.591 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -99.26 166.87 12.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.158 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.08 -176.05 2.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 0.0 110.954 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 m -67.19 60.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.9 OUTLIER -132.25 155.75 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' N ' HG22 ' A' ' 36' ' ' ILE . . . -109.11 -37.08 5.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.87 -13.03 20.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.397 1.06 . . . . 0.0 110.234 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.481 ' CB ' HG21 ' A' ' 36' ' ' ILE . . . -105.16 -1.72 25.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.509 ' CG2' ' OH ' ' A' ' 31' ' ' TYR . 0.9 OUTLIER -85.12 -39.43 14.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.42 -33.06 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -24.55 63.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 39' ' ' ALA . 65.1 mm-40 -83.0 -81.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.66 109.98 0.68 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.687 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.08 79.11 2.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -34.06 -33.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.628 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 8.7 p-80 -56.74 -13.06 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.62 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.687 ' N ' ' O ' ' A' ' 45' ' ' PRO . 2.7 mm? -80.51 -48.95 12.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 50' ' ' SER . 5.8 ptm180 -37.64 -32.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.5 m -91.35 -39.47 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.547 ' CE3' ' HG3' ' A' ' 15' ' ' LYS . 1.1 m-90 -71.06 -12.25 61.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -105.43 -41.63 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -88.63 0.22 56.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.46 ' OE2' ' N ' ' A' ' 55' ' ' ARG . 0.7 OUTLIER -39.39 -29.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.46 ' N ' ' OE2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -49.65 -26.4 3.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 110.344 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.82 79.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 tt -78.96 -17.05 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.03 97.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.516 ' CD2' ' NH1' ' A' ' 60' ' ' ARG . 9.2 t60 -165.58 -73.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.571 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.516 ' NH1' ' CD2' ' A' ' 59' ' ' HIS . 3.1 ptp85 179.77 -170.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.243 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.548 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.14 -173.59 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.8 -70.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m 64.91 103.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 65' ' ' ASN . 65.7 t -126.88 -103.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.483 ' N ' ' CG1' ' A' ' 64' ' ' VAL . 14.1 t-20 -46.16 -61.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.363 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.83 94.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.107 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -50.97 11.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.33 173.47 7.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.393 1.058 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.18 85.24 7.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.64 4.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -70.6 -177.3 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.2 152.49 43.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -74.94 177.23 8.85 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.533 1.807 . . . . 0.0 111.068 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 1.1 mtpt 165.7 165.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 73.95 118.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 13' ' ' MET . 4.3 tt0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -52.91 -27.82 20.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 54' ' ' GLU . 9.5 tt0 -65.86 -28.06 68.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.435 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -59.99 -32.37 70.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 13' ' ' MET . 18.2 t0 -85.7 -26.05 26.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.595 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.4 -39.53 28.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.82 -14.8 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -84.01 -63.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.418 HG13 ' HB3' ' A' ' 21' ' ' ALA . 20.4 t -63.77 -13.73 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.52 -29.01 58.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -84.93 -27.56 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -57.35 -78.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.82 163.47 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.07 -1.29 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.33 42.64 1.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 111.05 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.066 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -117.55 -79.0 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.18 -33.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -60.82 2.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.482 ' CG ' ' HG3' ' A' ' 46' ' ' GLU . 22.2 ptmt -177.43 118.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -33.75 -37.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 71.96 -61.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 47.1 p90 -117.2 23.81 11.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.432 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 17.8 t-20 63.75 64.05 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.79 146.95 73.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 -176.38 2.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.1 t -67.53 57.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.536 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -149.14 156.12 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.43 -31.99 6.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.08 -13.19 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.536 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -97.01 -22.92 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.066 ' CG2' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -67.94 -33.45 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.74 -37.93 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -65.6 -30.41 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 10.8 mm-40 -90.73 -78.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.162 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.48 101.25 2.04 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.247 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.597 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.99 131.07 13.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -59.14 -55.86 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.68 ' NE2' HD22 ' A' ' 48' ' ' LEU . 34.6 p-80 -42.78 -47.9 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.576 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.68 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -45.12 -29.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.3 ptm180 -58.37 -39.58 79.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.551 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -101.93 -28.34 12.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.595 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -70.5 -25.87 63.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 26.4 t80 -102.19 -37.42 8.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -92.82 1.4 57.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.6 OUTLIER -33.41 -37.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' ARG . 15.0 mmt85 -39.44 -31.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.448 ' O ' ' CD ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -174.06 69.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.551 HD12 ' HB3' ' A' ' 50' ' ' SER . 12.8 tt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 28' ' ' LYS . 6.8 t -128.49 -44.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.623 HG22 ' HB2' ' A' ' 54' ' ' GLU . 2.1 m -61.0 -37.06 81.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' A' ' 54' ' ' GLU . 14.2 tt0 -66.37 -27.36 67.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttt -61.41 -37.67 84.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.77 -26.0 40.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.581 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.0 -39.25 30.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.63 -14.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -85.35 -62.84 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.372 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.593 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 91.9 t -64.98 -11.69 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 4.1 p-10 -44.39 -45.0 8.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 20' ' ' LEU . 3.1 tt -57.39 -39.82 76.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -41.04 -51.65 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.43 -152.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.65 125.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -160.79 52.82 0.34 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.573 1.171 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.036 HG13 HG21 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -118.51 -36.37 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 0.726 . . . . 0.0 109.363 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 65' ' ' ASN . . . -38.5 -34.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.67 70.39 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -146.25 18.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 33' ' ' MET . 1.7 pm0 -79.25 1.18 25.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.85 -34.98 9.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.618 ' CE1' ' HB3' ' A' ' 33' ' ' MET . 12.6 p90 -99.41 27.37 5.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.405 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 15.0 t-20 57.34 63.54 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.618 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.84 134.06 61.13 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.07 176.45 9.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.483 ' O ' HG13 ' A' ' 35' ' ' VAL . 14.2 p -69.08 56.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.607 HG22 ' H ' ' A' ' 39' ' ' ALA . 58.7 mt -145.1 161.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -104.18 -32.03 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -64.75 -47.77 77.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.607 ' H ' HG22 ' A' ' 36' ' ' ILE . . . -58.01 -22.16 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.036 HG21 HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -75.0 -32.53 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.08 -37.54 15.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.401 1.063 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 2.0 ptm180 -68.0 -36.05 79.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 3.2 mm-40 -82.88 -72.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.42 109.58 2.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.593 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.3 Cg_endo -74.96 132.92 16.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.593 ' O ' ' N ' ' A' ' 49' ' ' ARG . 3.1 tp10 -57.45 -66.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.689 ' NE2' HD22 ' A' ' 48' ' ' LEU . 41.3 p-80 -36.19 -54.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.552 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.689 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -38.5 -33.17 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.593 ' N ' ' O ' ' A' ' 46' ' ' GLU . 7.0 ptm180 -50.9 -44.35 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 30.6 t -99.26 -29.56 12.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.581 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.5 m-90 -68.76 -22.1 64.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.005 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 25.1 t80 -98.15 -45.88 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.7 ttp180 -86.92 3.13 46.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.623 ' HB2' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -34.42 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.2 ttm180 -79.31 108.72 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.1 mt 66.39 63.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.427 HD12 ' HB3' ' A' ' 53' ' ' ARG . 2.1 tp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 65' ' ' ASN . 74.7 t -113.55 -99.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.544 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.427 ' CG2' ' CG ' ' A' ' 54' ' ' GLU . 1.8 m -74.09 -63.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -54.09 -22.51 11.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -33.85 76.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.069 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.44 -28.88 62.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -85.98 -41.1 15.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.388 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.75 -16.22 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -81.65 -58.51 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.48 HG13 ' HB2' ' A' ' 21' ' ' ALA . 28.3 t -67.25 -9.81 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -55.93 -19.07 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -92.26 -18.73 23.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -39.06 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.569 1.168 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.26 -163.05 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -163.87 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -121.54 53.67 0.7 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.059 HG13 HG21 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -118.3 -39.54 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.395 0.703 . . . . 0.0 109.347 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -38.27 -43.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.762 ' CD1' HG21 ' A' ' 64' ' ' VAL . 1.3 t80 -135.69 61.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.528 ' CD ' ' O ' ' A' ' 44' ' ' GLN . 1.3 tpmp? -145.77 23.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.488 ' HA ' ' CG ' ' A' ' 33' ' ' MET . 0.1 OUTLIER -87.11 1.77 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -52.52 -42.59 64.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 110.22 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.597 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 9.6 p90 -88.74 25.08 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.2 t30 59.81 63.37 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.629 ' SD ' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -79.36 125.6 82.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -75.01 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 m -67.2 58.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.6 OUTLIER -145.38 164.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.45 ' N ' HG23 ' A' ' 36' ' ' ILE . . . -120.24 -32.45 4.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.45 -11.31 57.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -100.21 -21.8 15.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.093 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.059 HG21 HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -68.78 -34.37 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.474 ' CG ' ' HG3' ' A' ' 45' ' ' PRO . 2.0 tt0 -86.4 -38.3 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -59.79 -34.46 73.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -90.62 -77.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.235 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.528 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 1.1 tt0 -161.14 99.99 1.27 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.648 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.02 134.59 17.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -58.46 -63.76 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.246 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.645 ' NE2' HD22 ' A' ' 48' ' ' LEU . 27.5 p-80 -37.93 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.648 HD23 ' HG2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -70.65 -55.08 9.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 2.6 ptm180 -44.9 -36.95 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.3 m -85.3 -35.59 21.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.596 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -71.66 -7.91 50.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -108.2 -36.77 6.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.7 ttp180 -98.82 1.06 45.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -37.81 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -71.48 71.89 0.69 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 tt 71.63 104.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.762 HG21 ' CD1' ' A' ' 27' ' ' PHE . 92.1 t -87.62 -107.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.644 ' N ' HG12 ' A' ' 64' ' ' VAL . 7.7 t-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.467 ' CG2' ' CD ' ' A' ' 54' ' ' GLU . 2.1 m -60.81 -50.14 74.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.401 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 18.2 tt0 -69.47 -16.92 63.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -36.27 68.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -69.24 -30.12 68.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.587 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -84.07 -37.15 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER -64.04 -12.42 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -86.95 -63.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 65.9 t -54.59 -19.99 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -57.36 -25.31 59.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -20.28 27.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -63.8 -68.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.24 -166.31 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.64 -144.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.467 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -124.04 50.47 0.85 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.017 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -120.92 -80.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.372 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.25 -22.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.98 -58.47 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 30' ' ' ARG . 5.9 tttt -176.1 111.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -33.64 -34.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 68.27 -60.25 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 46.7 p90 -119.27 25.96 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.425 ' CA ' ' HB2' ' A' ' 29' ' ' GLU . 18.2 t30 62.94 62.94 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.553 ' SD ' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -76.88 142.83 69.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.51 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.05 -175.91 2.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.2 t -66.75 57.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.523 HG22 ' HB3' ' A' ' 39' ' ' ALA . 1.1 mt -148.78 154.74 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.18 -30.88 6.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -67.19 -13.09 61.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.523 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -98.71 -22.68 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.017 ' CG2' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -68.44 -32.14 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.2 -38.67 14.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -65.66 -31.02 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 3.6 mm-40 -88.73 -78.1 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 110.27 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.23 98.16 2.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.622 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.1 131.75 14.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' ARG . 1.5 tt0 -59.02 -56.21 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.886 ' CE1' HD22 ' A' ' 48' ' ' LEU . 12.6 p80 -42.71 -47.52 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.55 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.886 HD22 ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -46.25 -26.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 4.7 ptm180 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 36.8 m -103.65 -28.25 11.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.587 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -69.84 -21.91 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 13.6 t80 -108.79 -37.17 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.903 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -94.86 2.36 55.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -33.53 -36.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -54.41 88.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' GLU . 2.0 mp 52.96 92.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.903 HD12 ' HB3' ' A' ' 53' ' ' ARG . 6.9 tt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.639 HG12 ' N ' ' A' ' 65' ' ' ASN . 97.5 t -89.06 -108.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.639 ' N ' HG12 ' A' ' 64' ' ' VAL . 5.4 t-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.461 ' CG2' ' HG2' ' A' ' 54' ' ' GLU . 2.1 m -63.66 -51.34 65.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 13.1 tt0 -62.65 -15.54 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.3 ttp -74.22 -34.1 63.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 15' ' ' LYS . 34.0 t0 -70.68 -29.98 66.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.376 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -82.84 -52.2 6.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.087 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 1.2 t -42.87 -33.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -66.62 -68.87 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 82.2 t -47.21 -25.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.79 -30.38 22.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.99 -24.51 32.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -54.28 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.692 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 178.59 -149.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.824 ' HB1' ' OE2' ' A' ' 46' ' ' GLU . . . 85.04 132.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.466 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . 172.56 -60.02 0.15 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.717 HG13 HG21 ' A' ' 40' ' ' VAL . 6.4 t -113.04 -27.43 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.598 0.823 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -35.48 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.546 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 33.2 m-85 -113.46 119.13 36.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 10.0 tppt? 160.11 -25.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.2 OUTLIER -42.61 -21.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.49 ' N ' ' C ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -44.68 -24.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.769 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -87.22 21.36 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 111.034 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 29' ' ' GLU . 13.9 t-20 65.25 63.05 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.555 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -80.68 120.26 78.57 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.485 ' O ' ' CE ' ' A' ' 33' ' ' MET . 18.4 Cg_endo -75.04 -179.15 4.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.029 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' ' 35' ' ' VAL . 11.1 p -68.35 56.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.504 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -149.21 156.97 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -114.57 -33.92 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.4 -15.1 56.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.504 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -89.76 -21.02 22.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.717 HG21 HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -63.97 -41.36 92.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -37.61 20.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -65.11 -34.18 77.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 31.1 mm-40 -80.86 -77.47 0.2 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.68 110.05 1.81 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.529 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.5 Cg_endo -74.93 131.46 14.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.824 ' OE2' ' HB1' ' A' ' 23' ' ' ALA . 2.0 pp20? -58.69 -51.13 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.617 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 23.1 p-80 -45.68 -45.05 13.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.606 1.191 . . . . 0.0 109.618 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.617 ' CD2' ' NE2' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -51.38 -26.51 7.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.395 1.06 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -59.56 -39.87 85.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 2.8 m -103.88 -27.08 12.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.597 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -70.66 -20.79 62.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 27.2 t80 -107.77 -41.48 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -91.8 2.47 56.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -33.12 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ARG . 3.0 mtp180 -39.1 -54.74 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.17 80.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.4 tt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 65' ' ' ASN . 78.5 t -124.72 -106.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.651 ' N ' HG12 ' A' ' 64' ' ' VAL . 2.8 t-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.769 HG22 ' NZ ' ' A' ' 15' ' ' LYS . 2.9 m -64.01 -37.0 85.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -57.46 -27.87 62.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.247 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -34.19 74.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -81.96 -26.13 34.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.769 ' NZ ' HG22 ' A' ' 11' ' ' THR . 0.2 OUTLIER -81.32 -39.92 24.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.56 -19.34 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 19' ' ' ASP . 2.9 t-20 -80.89 -69.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 24.9 t -48.55 -23.17 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -51.53 -35.33 40.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -22.8 67.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.649 ' O ' ' HB3' ' A' ' 22' ' ' ALA . . . -60.86 -55.77 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . 80.54 179.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.57 119.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.49 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -130.96 57.43 0.73 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.057 HG22 HG21 ' A' ' 40' ' ' VAL . 1.7 t -117.69 -55.49 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.394 0.703 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -40.0 -43.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.559 ' CD1' ' OE1' ' A' ' 46' ' ' GLU . 2.2 m-85 -37.85 -74.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' CB ' HG21 ' A' ' 64' ' ' VAL . 6.8 tttp -168.06 99.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.7 OUTLIER -42.08 -46.59 4.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.52 -63.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.65 ' OH ' HG22 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -78.37 -11.71 59.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 20.9 t-20 62.55 62.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -90.59 170.35 10.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.98 179.96 5.57 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.464 1.77 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 35' ' ' VAL . 95.5 t -67.01 58.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.614 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -133.54 154.62 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.87 -39.24 6.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -57.95 -16.1 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.614 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -103.1 0.22 31.61 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.057 HG21 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -91.17 -39.35 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.88 -35.96 28.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -60.34 -36.3 77.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' ' CE ' ' A' ' 33' ' ' MET . 75.7 mm-40 -81.28 -79.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.0 115.43 2.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.605 ' HB2' HD23 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.98 78.07 2.97 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.481 1.78 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.559 ' OE1' ' CD1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -47.1 -23.97 0.59 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.743 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 50.6 p-80 -74.31 -27.58 60.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.743 ' CD2' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -67.36 -31.36 71.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.466 ' CG ' ' N ' ' A' ' 50' ' ' SER . 4.3 ptm180 -49.52 -39.9 35.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.466 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.2 m -81.92 -34.14 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.592 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.4 m-90 -79.93 0.24 32.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 108.032 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.0 m-30 -111.79 -39.42 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -98.77 1.11 45.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.752 ' O ' HG21 ' A' ' 11' ' ' THR . 0.6 OUTLIER -36.09 -33.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -65.13 89.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.52 52.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 tt . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.019 -0.364 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.671 HG12 ' N ' ' A' ' 65' ' ' ASN . 69.6 t -68.23 -105.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.671 ' N ' HG12 ' A' ' 64' ' ' VAL . 12.3 m120 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.418 HG22 ' HG3' ' A' ' 54' ' ' GLU . 3.3 m -66.42 -53.98 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 15.8 tt0 -57.69 -22.51 46.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.62 -33.87 76.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.043 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.46 -28.55 61.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -83.21 -52.19 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -47.15 -23.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' N ' ' C ' ' A' ' 15' ' ' LYS . 4.8 t-20 -72.86 -62.32 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.7 -14.56 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.412 ' OD1' ' NE1' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -59.25 -15.42 15.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.93 -16.32 21.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.44 -99.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.33 178.21 4.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.57 -93.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.53 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . 172.94 55.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.828 ' HA ' HG21 ' A' ' 40' ' ' VAL . 1.4 t -114.15 -37.36 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.529 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -65.43 -11.83 46.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.576 ' HA ' HG11 ' A' ' 64' ' ' VAL . 2.8 m-85 -132.66 152.24 51.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.173 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.0 OUTLIER 89.08 -16.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.388 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -37.71 -28.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -49.35 -23.15 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.698 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -82.0 8.51 10.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 13.0 t-20 73.83 62.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.617 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -89.19 122.89 68.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.96 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.439 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.06 175.73 10.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.395 1.734 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.2 t -69.09 54.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.572 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -145.8 158.03 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.492 1.12 . . . . 0.0 109.215 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.98 -34.53 6.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.59 -12.14 42.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.572 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -99.67 -19.88 16.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.828 HG21 ' HA ' ' A' ' 25' ' ' VAL . 1.0 OUTLIER -72.95 -38.72 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.99 -38.69 31.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' C ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -63.62 -29.81 71.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 15.5 mm-40 -87.02 -78.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -160.14 102.52 1.4 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.738 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.03 130.69 13.47 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -58.91 -46.66 87.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.701 ' NE2' HD22 ' A' ' 48' ' ' LEU . 16.6 p-80 -50.1 -37.31 33.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.738 HD23 ' HG2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -59.6 -23.15 62.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -62.98 -38.38 90.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.9 t -102.3 -28.61 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.068 . . . . 0.0 109.964 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.551 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -69.7 -28.09 65.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 107.995 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.511 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 23.8 t80 -100.11 -39.55 8.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -90.34 2.45 55.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' SER . 1.8 pm0 -35.42 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 53' ' ' ARG . 4.3 ttt85 -69.22 62.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 79.15 106.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 27' ' ' PHE . 73.9 t -82.21 -97.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.541 ' N ' HG12 ' A' ' 64' ' ' VAL . 8.2 p30 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.555 HG21 ' CD ' ' A' ' 54' ' ' GLU . 2.3 m -66.69 -53.71 30.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -60.14 -24.29 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 35.5 ttm -63.85 -35.06 79.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -76.67 -26.47 54.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.583 ' HG3' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -84.94 -37.85 20.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.355 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -14.72 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -79.59 -68.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 21.4 t -59.19 -14.36 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.72 -32.18 18.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -26.57 62.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.703 ' O ' ' HB3' ' A' ' 22' ' ' ALA . . . -42.86 -72.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.227 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . 84.69 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 73.91 108.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.48 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -154.75 60.86 0.38 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.017 HG22 HG21 ' A' ' 40' ' ' VAL . 1.4 t -119.18 -64.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.72 -25.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.705 ' CE1' ' CB ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -72.74 -42.76 63.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.952 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.582 ' N ' ' CD1' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -177.33 130.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 0.0 109.347 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -103.72 -45.46 4.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.11 -70.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 110.285 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.68 ' OH ' HG22 ' A' ' 40' ' ' VAL . 1.1 p90 -62.42 -15.49 49.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 20.5 t30 62.06 62.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.491 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -86.52 168.88 16.78 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.05 -176.72 3.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.9 t -66.53 59.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.63 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -135.72 155.76 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.373 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.2 -40.88 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.42 -17.68 8.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.63 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -98.05 -13.98 20.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.017 HG21 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -75.92 -41.75 39.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.402 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CG ' ' HB3' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -76.01 -40.26 54.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -39.23 77.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.639 ' CB ' ' CD2' ' A' ' 31' ' ' TYR . 11.0 mm-40 -82.68 -67.71 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -151.92 102.41 2.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.246 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.672 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -75.05 129.72 12.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.705 ' CB ' ' CE1' ' A' ' 27' ' ' PHE . 2.3 pm0 -61.42 -42.16 98.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.648 ' NE2' HD22 ' A' ' 48' ' ' LEU . 25.4 p-80 -54.61 -36.72 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.56 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 45' ' ' PRO . 1.1 mm? -58.8 -22.63 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 3.6 ptm180 -62.38 -40.02 95.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 67.1 m -103.48 -27.74 12.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.583 ' CD2' ' HG3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -69.69 -24.08 63.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 8.3 t80 -106.37 -38.15 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.7 OUTLIER -92.57 1.35 57.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.555 ' CD ' HG21 ' A' ' 11' ' ' THR . 0.0 OUTLIER -34.35 -35.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -48.97 -70.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.56 97.14 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 109.326 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.655 HG12 ' N ' ' A' ' 65' ' ' ASN . 88.1 t -83.62 -106.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.655 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 m -63.02 -46.48 87.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 17.0 tt0 -61.85 -18.81 61.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -34.68 73.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.353 1.033 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.46 -29.32 61.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -79.16 -51.77 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -49.14 -22.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 15' ' ' LYS . 5.6 t-20 -77.8 -63.55 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.568 HG13 ' CB ' ' A' ' 21' ' ' ALA . 88.8 t -56.0 -18.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -48.26 -24.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.79 -27.68 13.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -40.13 -67.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.15 -175.48 4.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.04 -169.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.563 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -127.58 53.34 0.8 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.13 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.984 ' HA ' HG21 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -116.92 -24.47 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.56 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.625 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -102.32 108.26 19.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.625 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER 154.23 -22.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -47.97 -16.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' C ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -43.99 -24.74 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.741 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -88.0 20.43 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 29' ' ' GLU . 17.7 t30 65.86 64.48 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.669 ' CE ' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -77.99 132.09 68.3 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.468 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 18.3 Cg_endo -74.96 176.41 9.94 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 35' ' ' VAL . 98.2 t -72.33 48.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.062 . . . . 0.0 109.315 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 37' ' ' ALA . 81.6 mt -146.84 165.25 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.494 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -105.66 -34.55 7.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 36' ' ' ILE . 15.7 tt0 -63.14 -18.26 63.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -80.56 -25.14 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.984 HG21 ' HA ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -71.15 -40.0 74.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.67 -37.02 19.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 38' ' ' GLU . 10.9 ttt-85 -66.3 -25.75 66.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -97.23 -77.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.29 102.16 2.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.568 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.5 Cg_endo -75.01 131.14 13.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -59.12 -55.42 35.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.352 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.641 ' NE2' HD22 ' A' ' 48' ' ' LEU . 33.3 p-80 -43.2 -46.28 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.591 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.641 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -47.35 -28.36 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.235 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.5 ptm180 -57.29 -41.14 79.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.5 p -100.85 -28.77 12.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.576 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -69.35 -30.26 68.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 34.7 t80 -94.71 -43.03 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -87.17 2.04 51.16 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -33.13 -37.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' ARG . 16.4 mtt180 -40.47 -40.13 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tp -133.2 84.83 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.45 ' CG1' ' OE2' ' A' ' 29' ' ' GLU . 16.1 t -113.37 -9.61 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.8 m -63.65 -50.25 70.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.484 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.72 -27.17 67.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -34.18 76.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.08 -25.05 40.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -82.89 -55.72 4.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -42.61 -33.58 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -59.41 -68.93 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.6 t -51.55 -36.43 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.223 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -17.39 10.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.38 -19.65 45.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.684 ' O ' ' HB2' ' A' ' 22' ' ' ALA . . . -73.57 -102.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 21' ' ' ALA . . . 162.84 -165.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 63.61 144.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.63 ' O ' HG11 ' A' ' 40' ' ' VAL . . . 173.1 49.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.169 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -111.14 -75.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.563 0.802 . . . . 0.0 109.366 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' O ' HG21 ' A' ' 64' ' ' VAL . . . -42.81 -53.84 4.41 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' ALA . 79.1 m-85 -36.37 -48.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 4.9 tttt -146.6 67.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.226 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.659 ' OE2' HG12 ' A' ' 25' ' ' VAL . 1.5 mm-40 -66.06 -41.08 91.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.435 ' C ' ' N ' ' A' ' 32' ' ' ASN . 0.2 OUTLIER 37.7 -89.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.586 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.1 p90 -47.09 -19.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 30' ' ' ARG . 19.6 t-20 65.25 60.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.757 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 2.8 mmt -82.96 164.71 45.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.611 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 -177.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.39 63.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.611 ' N ' ' O ' ' A' ' 34' ' ' PRO . 1.0 OUTLIER -138.76 154.62 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' VAL . . . -107.38 -48.25 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -44.77 -42.19 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.757 ' HB1' ' SD ' ' A' ' 33' ' ' MET . . . -72.28 -34.17 68.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.169 ' CG2' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -57.64 -40.71 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.26 -37.37 53.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -43.09 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.237 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 3.0 mm-40 -81.64 -76.39 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -158.68 116.17 1.7 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.521 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.5 Cg_endo -74.92 129.59 12.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.562 1.822 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.9 OUTLIER -58.29 -58.51 8.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.879 ' CE1' HD22 ' A' ' 48' ' ' LEU . 12.5 p80 -41.15 -50.77 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.564 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.879 HD22 ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -41.93 -29.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.523 ' CG ' ' N ' ' A' ' 50' ' ' SER . 5.1 ptm180 -57.68 -44.01 85.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.523 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.1 m -101.15 -27.26 13.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.987 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -68.63 -29.65 68.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 9.4 t80 -96.57 -43.17 7.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -86.19 1.36 51.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.481 ' HA ' ' CG2' ' A' ' 57' ' ' ILE . 3.0 pt-20 -33.82 -36.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.9 ttt180 -49.11 -58.61 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.25 66.21 1.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.481 ' CG2' ' HA ' ' A' ' 54' ' ' GLU . 20.5 pt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.533 HG12 ' N ' ' A' ' 65' ' ' ASN . 80.1 t -150.43 -99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.533 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 54' ' ' GLU . 2.0 m -109.91 -43.5 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.454 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -78.65 -9.09 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -33.84 27.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.516 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.1 t70 -69.03 -33.27 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -81.28 -40.15 24.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.95 -16.27 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -90.85 -51.21 5.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.792 HG13 ' HB3' ' A' ' 21' ' ' ALA . 42.0 t -61.84 -14.13 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' VAL . 1.3 t70 -38.42 -31.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -91.22 -46.71 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.182 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.792 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -61.7 -13.84 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -38.47 141.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.43 -155.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' C ' HG11 ' A' ' 40' ' ' VAL . . . -146.81 -82.37 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.041 HG22 HG21 ' A' ' 40' ' ' VAL . 1.8 t -110.78 -20.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.57 0.806 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -35.99 -57.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -124.15 48.81 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.56 ' O ' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -141.79 40.21 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.7 OUTLIER -86.03 1.68 49.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' C ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -35.45 -85.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.667 ' OH ' HG22 ' A' ' 40' ' ' VAL . 1.2 p90 -46.17 -20.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' GLU . 19.4 t30 63.78 61.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.43 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -84.07 173.13 7.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.01 -178.02 3.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.7 59.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.572 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -135.73 154.23 34.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.22 -36.71 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.57 -16.62 26.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.572 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -100.52 -4.63 28.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.041 HG21 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -84.56 -37.16 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.4 -37.01 22.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.518 ' C ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -64.98 -33.74 76.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.58 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 54.3 mm-40 -74.82 -78.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -161.04 97.84 1.33 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.82 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.06 132.48 15.39 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.529 1.805 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -59.18 -37.44 77.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.663 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 10.4 p-80 -60.5 -18.92 55.02 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.925 HD12 ' CE2' ' A' ' 52' ' ' PHE . 1.2 mm? -86.16 -60.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -54.87 -31.38 59.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 49' ' ' ARG . 2.0 t -77.92 -38.08 46.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.634 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.2 m-90 -81.49 -2.89 51.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 107.982 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.925 ' CE2' HD12 ' A' ' 48' ' ' LEU . 1.1 m-85 -110.02 -44.6 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -90.9 0.47 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.48 ' HG2' ' CG2' ' A' ' 11' ' ' THR . 6.8 pm0 -36.52 -33.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 53' ' ' ARG . 34.9 mtm-85 -53.01 -53.98 42.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -119.77 65.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.327 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 tp . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.654 HG12 ' N ' ' A' ' 65' ' ' ASN . 82.4 t -125.88 -106.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.654 ' N ' HG12 ' A' ' 64' ' ' VAL . 6.0 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 13' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.52 ' CG2' ' CD ' ' A' ' 54' ' ' GLU . 6.4 m -59.47 -43.03 93.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 15.0 tt0 -73.0 -8.15 54.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -83.8 -26.09 29.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 13' ' ' MET . 39.6 t0 -79.07 -29.75 43.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.633 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.15 -57.14 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -38.03 -36.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 19' ' ' ASP . 5.2 t-20 -63.14 -68.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.628 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 49.1 t -45.1 -27.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 17' ' ' ASN . 3.0 t70 -53.01 -42.71 65.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.34 -22.88 61.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -63.05 -72.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.609 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . 171.78 136.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 22' ' ' ALA . . . 169.22 82.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.477 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -142.21 -79.46 0.05 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.885 HG13 HG21 ' A' ' 40' ' ' VAL . 2.1 t -109.12 -20.81 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.57 -29.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.642 ' CE1' HG23 ' A' ' 64' ' ' VAL . 57.3 t80 -140.69 174.58 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.552 ' N ' ' CD2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER 88.44 -24.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.7 ' CD ' HG11 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -37.99 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -49.08 -22.29 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.757 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -85.75 15.8 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.471 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 12.9 t-20 65.34 63.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.616 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.22 123.65 72.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.432 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.02 177.01 9.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.0 m -68.53 55.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.579 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -145.37 158.13 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.8 -37.18 5.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 0.0 109.237 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.76 -13.34 22.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.579 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -99.07 -18.41 17.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.885 HG21 HG13 ' A' ' 25' ' ' VAL . 1.2 t -71.58 -38.02 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.65 -36.32 18.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 110.343 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.9 ttp85 -67.9 -32.04 72.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -80.7 -75.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.349 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.37 108.06 5.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.945 ' HB2' HD23 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -75.06 79.57 2.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -28.17 -58.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.662 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 34.9 p-80 -45.78 -49.29 15.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.62 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.945 HD23 ' HB2' ' A' ' 45' ' ' PRO . 3.5 mm? -45.4 -29.88 1.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.525 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -55.12 -40.71 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 49.9 m -104.61 -25.86 12.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.633 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -73.62 -24.5 60.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 108.061 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 14.9 t80 -105.47 -39.34 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -90.95 1.3 57.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.52 ' CD ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -33.56 -36.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 53' ' ' ARG . 42.8 mtt180 -42.53 -64.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -142.72 78.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.7 HG11 ' CD ' ' A' ' 29' ' ' GLU . 74.6 t -76.02 -101.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.246 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.582 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.424 HG22 ' HB2' ' A' ' 54' ' ' GLU . 88.7 m -67.7 -52.27 39.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.452 ' CB ' ' OE1' ' A' ' 54' ' ' GLU . 9.8 tt0 -57.33 -28.73 63.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -34.66 73.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -83.84 -25.87 29.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.595 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.18 -39.85 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.7 -14.74 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -87.89 -62.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.52 -15.23 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -55.35 -18.38 6.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -105.03 -21.19 13.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.243 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -39.33 -89.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.52 -166.36 1.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.107 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.7 -101.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -176.83 50.28 0.11 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.903 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -116.07 -72.42 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.439 0.729 . . . . 0.0 109.222 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.05 -42.42 6.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -57.11 -37.37 71.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' VAL . 3.2 tptt -178.65 124.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.592 ' O ' ' CG ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -104.62 -46.14 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.08 -79.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.656 ' CD2' ' CB ' ' A' ' 43' ' ' GLU . 1.4 p90 -53.16 -17.35 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 62.05 61.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.765 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 3.0 mmt -84.47 164.65 42.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.593 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.95 -177.76 3.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.591 ' O ' HG23 ' A' ' 35' ' ' VAL . 32.2 m -61.71 69.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.623 ' CG2' ' H ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -145.78 156.2 12.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.431 ' O ' ' HB ' ' A' ' 40' ' ' VAL . . . -109.84 -40.1 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -49.55 69.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.765 ' HB1' ' SD ' ' A' ' 33' ' ' MET . . . -66.49 -25.15 66.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.903 ' CG2' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -67.93 -41.16 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.441 ' CG ' ' HG3' ' A' ' 45' ' ' PRO . 0.9 OUTLIER -74.42 -35.54 63.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.233 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -58.97 -36.22 74.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.656 ' CB ' ' CD2' ' A' ' 31' ' ' TYR . 19.9 mm-40 -81.83 -80.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.99 97.76 0.75 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.598 1.186 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.624 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.6 Cg_endo -74.88 130.7 13.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 4.4 tm-20 -61.78 -41.83 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.692 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 30.7 p-80 -58.22 -15.82 11.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.613 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.624 HD23 ' HG2' ' A' ' 45' ' ' PRO . 2.3 mm? -87.88 -54.88 4.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.0 ptm180 -47.43 -36.54 10.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' GLU . 2.9 t -82.16 -37.49 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.692 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.0 OUTLIER -72.89 -12.02 60.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 108.021 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -98.8 -36.18 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -99.18 -0.93 40.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -47.74 -64.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER 34.54 -94.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 54' ' ' GLU . 1.4 tp -144.7 48.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.0 tt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.4 t -104.84 -10.46 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.368 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.493 HG21 ' O ' ' A' ' 54' ' ' GLU . 25.9 m -53.68 -23.62 12.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -72.67 -26.76 61.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.0 ttp -61.84 -40.22 94.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.36 -27.31 59.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.583 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -79.61 -45.47 19.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -50.52 -22.84 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 19' ' ' ASP . 1.8 t-20 -85.52 -72.06 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.49 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 52.6 t -44.44 -26.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.42 ' N ' ' C ' ' A' ' 17' ' ' ASN . 3.4 t70 -39.73 -61.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 21' ' ' ALA . 3.9 pp -69.5 -44.07 71.83 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . . . -34.06 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.82 166.56 10.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.95 -88.53 0.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . 165.29 42.6 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.004 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -118.8 -37.1 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -36.86 -51.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.595 ' CZ ' ' CD ' ' A' ' 46' ' ' GLU . 7.6 p90 -131.61 59.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -139.91 25.01 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.667 ' OE1' HG11 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -96.22 0.92 51.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -58.58 -26.45 63.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.602 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 6.2 p90 -99.65 21.65 12.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.432 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 16.2 t-20 63.65 62.48 0.92 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.22 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.599 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.82 134.37 60.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.424 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.03 172.69 15.87 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 35' ' ' VAL . 54.7 t -70.42 54.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 39' ' ' ALA . 71.3 mt -145.02 158.53 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.94 -39.08 9.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -61.24 -48.01 83.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 110.259 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.63 ' H ' HG22 ' A' ' 36' ' ' ILE . . . -55.25 -24.85 30.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 109.378 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.004 ' CG2' HG13 ' A' ' 25' ' ' VAL . 1.1 t -75.45 -32.42 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' A' ' 45' ' ' PRO . 3.5 mt-10 -88.26 -36.28 16.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 2.4 ptm180 -63.15 -29.7 71.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.591 ' OE1' ' CD1' ' A' ' 31' ' ' TYR . 2.6 mm-40 -88.01 -81.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.72 94.54 1.67 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.67 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.01 131.32 14.15 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.595 ' CD ' ' CZ ' ' A' ' 27' ' ' PHE . 2.4 pp20? -61.87 -39.94 93.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.709 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 16.1 p-80 -59.68 -15.23 18.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.574 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.67 HD23 ' HG2' ' A' ' 45' ' ' PRO . 2.0 mm? -87.77 -47.96 8.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.7 ptm180 -51.54 -36.97 47.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 2.7 m -83.95 -34.41 24.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.709 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.0 OUTLIER -73.67 -9.87 59.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 108.058 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 1.5 m-85 -103.96 -38.19 7.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.0 ttp180 -97.68 1.0 48.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.493 ' O ' HG21 ' A' ' 11' ' ' THR . 5.4 pt-20 -36.37 -33.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ARG . 7.2 ttp180 -44.09 -52.15 7.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.347 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -164.52 79.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.2 tt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.667 HG11 ' OE1' ' A' ' 29' ' ' GLU . 77.2 t -131.54 -104.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.631 ' N ' HG12 ' A' ' 64' ' ' VAL . 1.8 p-10 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.678 HG22 ' OE1' ' A' ' 54' ' ' GLU . 2.1 m -70.5 -62.42 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -58.85 -22.43 58.94 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -35.46 78.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -72.62 -27.83 62.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.611 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -86.42 -38.88 16.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 109.323 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -59.33 -15.76 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -75.67 -62.65 1.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.677 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 78.1 t -54.81 -20.21 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -47.3 -49.66 23.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -28.22 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -63.26 -56.02 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . 82.19 -69.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.15 153.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.485 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -137.34 -84.02 0.13 Allowed Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.903 HG13 HG21 ' A' ' 40' ' ' VAL . 1.8 t -106.47 -43.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.632 0.842 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -38.13 -31.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' VAL . 31.8 t80 -131.55 169.77 15.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' CE ' ' HA ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER 75.5 1.51 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.1 OUTLIER -65.87 -3.63 5.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -14.44 9.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.714 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -91.39 12.33 20.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.451 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 20.7 t30 64.66 65.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.17 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.603 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.05 126.73 83.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 111.049 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.93 177.7 8.22 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 35' ' ' VAL . 50.2 t -66.59 56.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.557 HG22 ' HB3' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -150.28 159.49 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.77 -35.88 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.23 -8.91 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -105.67 -1.6 24.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.903 HG21 HG13 ' A' ' 25' ' ' VAL . 1.2 t -84.02 -37.22 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.6 -30.88 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -24.42 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.243 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.579 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 8.6 mm-40 -73.62 -81.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.74 120.68 0.94 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.92 ' HB2' HD23 ' A' ' 48' ' ' LEU . 18.0 Cg_endo -75.03 79.07 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -31.94 -36.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.611 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 8.4 p-80 -55.11 -12.19 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.596 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.92 HD23 ' HB2' ' A' ' 45' ' ' PRO . 3.5 mm? -82.87 -45.82 13.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 4.6 ptm180 -49.98 -37.1 30.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.7 m -83.25 -33.95 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.611 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -76.73 -11.14 59.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 108.007 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CE2' HD12 ' A' ' 48' ' ' LEU . 2.0 m-85 -100.6 -39.28 7.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -101.41 0.26 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 0.0 110.4 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.678 ' OE1' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -34.73 -83.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.596 ' HA ' HG21 ' A' ' 11' ' ' THR . 3.4 ttm180 39.85 28.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER 76.67 52.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.623 HG22 ' HA ' ' A' ' 54' ' ' GLU . 1.4 tt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 65' ' ' ASN . 69.9 t -41.72 -90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.406 ' N ' HG12 ' A' ' 64' ' ' VAL . 9.4 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.9 m -72.09 -35.71 69.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.49 -25.75 67.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mmm -62.4 -35.69 79.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -78.65 -29.68 45.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.354 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.578 ' HG3' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -77.25 -38.31 51.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -11.72 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -97.62 -57.0 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.7 t -57.89 -16.07 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -58.16 -16.78 14.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -100.03 -4.33 30.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 20' ' ' LEU . . . -44.68 -94.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.93 76.98 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 40.68 -154.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.573 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -143.64 67.12 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.117 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.916 ' HA ' HG21 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -120.67 -40.69 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.76 -71.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.528 ' CG ' ' HB ' ' A' ' 64' ' ' VAL . 0.3 OUTLIER -97.38 47.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 110.992 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 1.1 tpmp? -129.5 4.89 5.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.081 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 33' ' ' MET . 0.2 OUTLIER -75.59 2.33 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.268 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -21.84 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.682 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 1.3 p90 -108.71 24.5 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 111.017 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 16.3 t-20 64.61 65.38 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . 1.004 ' SD ' HG23 ' A' ' 40' ' ' VAL . 7.1 tpt -83.44 124.78 75.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.557 ' HD2' ' HE3' ' A' ' 33' ' ' MET . 18.2 Cg_endo -74.99 178.7 6.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.4 m -68.1 59.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.679 ' O ' ' HE2' ' A' ' 33' ' ' MET . 49.3 mt -145.12 161.84 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -120.95 -17.21 7.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.37 1.16 56.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.751 ' HB3' ' CE ' ' A' ' 33' ' ' MET . . . -106.22 -14.26 15.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.004 HG23 ' SD ' ' A' ' 33' ' ' MET . 0.8 OUTLIER -76.38 -37.24 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.49 -37.17 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.509 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 5.2 ptm180 -62.29 -33.06 73.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.511 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 18.9 mm-40 -86.99 -80.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -162.4 98.08 1.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.649 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -74.93 132.54 15.63 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.79 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -60.4 -46.62 89.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.675 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 32.4 p-80 -53.52 -18.22 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.649 HD23 ' HG2' ' A' ' 45' ' ' PRO . 1.8 mm? -86.63 -59.27 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.4 ptm180 -50.58 -37.3 39.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.7 t -75.64 -39.79 57.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.675 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.1 m-90 -75.38 -10.76 59.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 107.975 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.597 ' CE1' HD12 ' A' ' 48' ' ' LEU . 2.4 m-85 -100.66 -41.1 7.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.538 ' CG ' ' O ' ' A' ' 53' ' ' ARG . 9.0 ttt180 -97.69 -1.99 42.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.269 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.898 ' O ' HG23 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -34.8 -92.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.547 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 25.78 88.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 110.223 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' ARG . 1.1 mt 38.37 87.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.37 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 54' ' ' GLU . 1.1 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.528 ' HB ' ' CG ' ' A' ' 27' ' ' PHE . 2.8 t -97.9 -10.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.178 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' A' ' 13' ' ' MET . 1.1 tt0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.517 HG21 ' OE2' ' A' ' 54' ' ' GLU . 16.4 m -95.32 -25.57 16.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -81.34 -15.03 56.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.067 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -74.38 -31.02 62.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -74.57 -30.04 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.587 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -81.11 -52.72 7.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -41.18 -32.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 15' ' ' LYS . 6.1 t-20 -66.88 -66.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.693 HG13 ' HB3' ' A' ' 21' ' ' ALA . 40.0 t -57.88 -16.74 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 17.8 t70 -40.72 -29.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' N ' ' C ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -82.11 -48.25 11.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.693 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -59.83 -16.4 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' ALA . . . -39.12 155.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB3' ' OE1' ' A' ' 46' ' ' GLU . . . -98.37 -158.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.22 -85.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.039 HG22 HG21 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -109.25 -14.43 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.496 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -32.81 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.483 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 4.1 p90 -124.34 160.25 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER 87.32 7.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.594 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -38.01 -48.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.244 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 59.57 -71.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 110.268 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.616 ' CD1' ' HB2' ' A' ' 33' ' ' MET . 2.7 p90 -67.03 -18.01 65.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 22.1 t30 62.15 64.74 0.94 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.616 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 4.7 tpp -80.05 138.69 53.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.607 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.01 -174.09 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -41.68 89.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 109.345 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.607 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -179.17 149.73 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.45 -18.88 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.65 -48.26 55.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.306 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.489 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -74.49 -2.87 27.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.039 HG21 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -80.24 -49.5 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.55 -33.78 47.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -32.66 73.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 13.2 mm-40 -75.47 -77.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.36 116.14 2.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 110.207 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.618 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.2 Cg_endo -75.02 132.82 15.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.64 ' O ' ' N ' ' A' ' 49' ' ' ARG . 1.1 mp0 -58.02 -65.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.692 ' NE2' HD22 ' A' ' 48' ' ' LEU . 43.1 p-80 -36.3 -52.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.594 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -41.65 -28.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.64 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.5 ptm180 -59.65 -43.76 93.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 2.9 m -102.65 -22.79 13.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.587 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -71.56 -20.66 61.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.006 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -113.98 -30.27 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -103.13 2.43 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.389 1.056 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.575 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -30.69 -40.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.524 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER 29.02 -142.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.28 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.6 45.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 54' ' ' GLU . 2.8 tt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.682 HG12 ' N ' ' A' ' 65' ' ' ASN . 70.2 t -95.71 -105.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.682 ' N ' HG12 ' A' ' 64' ' ' VAL . 1.3 t-20 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.99 HG21 ' O ' ' A' ' 54' ' ' GLU . 29.7 m -83.86 -47.91 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.427 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -61.13 -26.31 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.363 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -34.23 75.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -80.24 -25.89 39.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -82.17 -40.09 22.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.8 -18.22 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -75.38 -70.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' ALA . 72.2 t -50.81 -32.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -40.62 -51.97 2.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 21' ' ' ALA . 2.8 pp -46.43 -45.39 18.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -70.97 -65.63 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 64.73 123.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -177.62 67.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.506 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -115.55 55.25 0.55 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.044 ' HA ' HG21 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -122.87 -78.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.4 0.706 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.62 -46.27 79.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.463 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -89.94 32.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -165.63 27.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.776 ' HB2' HG11 ' A' ' 64' ' ' VAL . 5.9 mt-10 -35.08 -48.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 61.28 -69.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 47.9 p90 -110.26 32.32 5.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.434 1.084 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 19.2 t30 54.58 62.78 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.632 ' HG2' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -76.27 149.71 82.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.0 178.12 7.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 m -68.14 60.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.549 HG22 ' H ' ' A' ' 39' ' ' ALA . 56.9 mt -142.31 151.77 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.644 ' HA ' HG11 ' A' ' 25' ' ' VAL . . . -103.24 -26.52 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -83.14 1.68 39.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.549 ' H ' HG22 ' A' ' 36' ' ' ILE . . . -100.54 -41.36 7.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.044 HG21 ' HA ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -56.02 -37.43 48.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -84.05 -38.25 21.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -59.29 -32.39 70.0 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 2.5 mm-40 -94.42 -80.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.94 110.81 3.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.58 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.0 Cg_endo -74.99 80.04 2.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 45.7 tt0 -45.74 -25.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.787 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 47.6 p-80 -74.3 -21.55 59.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.607 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.787 ' CD2' ' CD2' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -77.82 -47.97 17.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 50' ' ' SER . 2.8 ptm180 -41.86 -35.12 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 0.9 OUTLIER -82.41 -40.13 21.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.566 1.166 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.3 m-90 -79.34 0.78 27.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 108.03 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.8 m-30 -114.32 -45.94 3.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.5 ttp180 -89.62 0.28 57.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.99 ' O ' HG21 ' A' ' 11' ' ' THR . 3.0 pt-20 -37.44 -31.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.5 tpp180 -71.7 84.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mt 62.72 82.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 109.38 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 29' ' ' GLU . 86.9 t -97.99 -106.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.662 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.37 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.721 HG21 ' O ' ' A' ' 54' ' ' GLU . 2.3 m -62.78 -28.19 69.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -80.26 -9.4 59.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -37.54 31.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -65.15 -34.96 79.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.613 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -79.71 -46.24 17.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -47.01 -32.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -68.14 -67.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' ALA . 46.9 t -55.37 -18.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' VAL . 39.9 t0 -38.42 -51.58 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mp -51.69 -48.9 63.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.354 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 22' ' ' ALA . . . -74.17 -89.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . 72.77 160.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.79 -170.91 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.478 ' C ' HG11 ' A' ' 40' ' ' VAL . . . -153.42 -84.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.968 HG13 HG21 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -106.77 -14.83 9.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.417 0.716 . . . . 0.0 109.292 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -36.71 -35.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.72 ' HA ' HG11 ' A' ' 64' ' ' VAL . 1.9 m-85 -57.83 -49.89 75.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' VAL . 17.3 tptt 76.1 2.98 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -121.12 -10.72 8.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.696 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -35.18 94.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 30' ' ' ARG . 43.9 p90 40.74 34.75 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 17.7 t-20 64.51 57.82 1.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . 1.071 ' CE ' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -78.48 140.24 59.91 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.55 ' N ' ' HG3' ' A' ' 33' ' ' MET . 18.4 Cg_endo -75.04 -174.07 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.37 57.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.59 HG22 ' HE1' ' A' ' 33' ' ' MET . 79.5 mt -146.58 155.22 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.476 ' HA ' HG21 ' A' ' 25' ' ' VAL . . . -117.28 -19.65 9.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.22 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 25.6 tt0 -76.44 -12.16 60.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.071 ' HB3' ' CE ' ' A' ' 33' ' ' MET . . . -101.71 -17.94 16.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.992 HG23 ' SD ' ' A' ' 33' ' ' MET . 0.9 OUTLIER -67.75 -29.87 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.43 -36.55 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.474 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 3.0 ptm180 -66.17 -32.86 74.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 6.0 mm-40 -85.47 -80.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -159.47 99.95 1.54 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.846 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.01 137.08 21.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 1.8 tm-20 -55.06 -52.17 64.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.663 ' NE2' HD22 ' A' ' 48' ' ' LEU . 11.1 p-80 -47.56 -22.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.649 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.846 HD23 ' HG2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -85.21 -66.51 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -50.5 -33.27 20.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -72.25 -45.37 60.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.613 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.2 m-90 -75.63 -6.23 49.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 107.983 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 1.3 m-85 -101.75 -42.38 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -89.17 -4.75 58.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.721 ' O ' HG21 ' A' ' 11' ' ' THR . 14.1 pt-20 -41.54 -40.22 1.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -45.96 -34.61 4.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.348 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -112.09 -73.93 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.72 HG11 ' HA ' ' A' ' 27' ' ' PHE . 93.6 t -97.97 -107.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.655 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.717 HG21 ' O ' ' A' ' 54' ' ' GLU . 2.9 m -66.62 -54.49 22.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -60.97 -24.01 65.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -34.66 78.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -78.96 -26.98 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.548 ' HG3' ' CE3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -79.4 -53.59 6.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.175 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.1 -25.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 15' ' ' LYS . 4.8 t-20 -76.04 -59.61 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.374 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.865 HG13 ' HB3' ' A' ' 21' ' ' ALA . 36.6 t -65.01 -10.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -40.46 -29.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -82.7 -48.23 11.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.865 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -62.45 -19.91 64.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.674 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -39.53 -56.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 83.97 -72.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.564 ' O ' HG13 ' A' ' 40' ' ' VAL . . . 110.54 -35.14 4.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.922 HG13 HG21 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -112.75 -12.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . -34.14 -33.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' VAL . 46.6 m-85 -104.66 -43.54 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.848 ' HB3' HG12 ' A' ' 25' ' ' VAL . 0.1 OUTLIER 37.85 31.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -120.7 -38.85 2.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 110.251 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -33.72 -35.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.927 ' OH ' HG22 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -124.77 -9.14 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 15.4 t30 58.26 65.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.591 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -99.26 166.87 12.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.158 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.08 -176.05 2.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 0.0 110.954 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 m -67.19 60.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.62 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -132.25 155.75 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 40' ' ' VAL . . . -109.11 -37.08 5.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.87 -13.03 20.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.397 1.06 . . . . 0.0 110.234 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.62 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -105.16 -1.72 25.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.927 HG22 ' OH ' ' A' ' 31' ' ' TYR . 0.9 OUTLIER -85.12 -39.43 14.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.42 -33.06 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -24.55 63.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 39' ' ' ALA . 65.1 mm-40 -83.0 -81.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.66 109.98 0.68 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.892 ' HB2' HD23 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.08 79.11 2.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -34.06 -33.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.628 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 8.7 p-80 -56.74 -13.06 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.62 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.892 HD23 ' HB2' ' A' ' 45' ' ' PRO . 2.7 mm? -80.51 -48.95 12.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 50' ' ' SER . 5.8 ptm180 -37.64 -32.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.5 m -91.35 -39.47 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CE3' ' HG3' ' A' ' 15' ' ' LYS . 1.1 m-90 -71.06 -12.25 61.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -105.43 -41.63 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -88.63 0.22 56.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.717 ' O ' HG21 ' A' ' 11' ' ' THR . 0.7 OUTLIER -39.39 -29.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.46 ' N ' ' OE2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -49.65 -26.4 3.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 110.344 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.82 79.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 tt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.688 HG12 ' N ' ' A' ' 65' ' ' ASN . 65.7 t -126.88 -103.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.688 ' N ' HG12 ' A' ' 64' ' ' VAL . 30.9 t30 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.363 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.608 ' HG2' HD23 ' A' ' 2' ' ' LEU . 7.8 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.54 0.21 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.608 HD23 ' HG2' ' A' ' 1' ' ' MET . 0.6 OUTLIER -168.07 71.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.5 164.32 21.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.33 150.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.69 164.44 0.24 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.94 93.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.709 ' O ' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -80.42 -46.2 16.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER 163.69 107.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -172.63 49.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 13' ' ' MET . 4.3 tt0 -105.64 -21.68 13.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.273 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -52.91 -27.82 20.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 54' ' ' GLU . 9.5 tt0 -65.86 -28.06 68.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.435 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -59.99 -32.37 70.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 13' ' ' MET . 18.2 t0 -85.7 -26.05 26.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.595 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.4 -39.53 28.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.82 -14.8 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -84.01 -63.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.418 HG13 ' HB3' ' A' ' 21' ' ' ALA . 20.4 t -63.77 -13.73 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.52 -29.01 58.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -84.93 -27.56 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -57.35 -78.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.82 163.47 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.07 -1.29 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.33 42.64 1.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 111.05 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.066 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -117.55 -79.0 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.18 -33.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -60.82 2.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.482 ' CG ' ' HG3' ' A' ' 46' ' ' GLU . 22.2 ptmt -177.43 118.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -33.75 -37.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 71.96 -61.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 47.1 p90 -117.2 23.81 11.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.432 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 17.8 t-20 63.75 64.05 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.79 146.95 73.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 -176.38 2.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.1 t -67.53 57.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.536 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -149.14 156.12 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.43 -31.99 6.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.08 -13.19 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.536 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -97.01 -22.92 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.066 ' CG2' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -67.94 -33.45 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.74 -37.93 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -65.6 -30.41 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 10.8 mm-40 -90.73 -78.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.162 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.48 101.25 2.04 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.247 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.597 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.99 131.07 13.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -59.14 -55.86 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.68 ' NE2' HD22 ' A' ' 48' ' ' LEU . 34.6 p-80 -42.78 -47.9 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.576 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.68 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -45.12 -29.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.3 ptm180 -58.37 -39.58 79.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.551 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -101.93 -28.34 12.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.595 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -70.5 -25.87 63.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 26.4 t80 -102.19 -37.42 8.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -92.82 1.4 57.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.6 OUTLIER -33.41 -37.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' ARG . 15.0 mmt85 -39.44 -31.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.448 ' O ' ' CD ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -174.06 69.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.605 HG23 ' H ' ' A' ' 58' ' ' ALA . 12.8 tt -40.59 -61.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.605 ' H ' HG23 ' A' ' 57' ' ' ILE . . . 64.05 151.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.7 -76.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.573 ' HD2' HD13 ' A' ' 57' ' ' ILE . 1.4 ttt180 68.44 168.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.6 mt 66.08 158.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -159.94 -68.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m 63.16 100.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 28' ' ' LYS . 6.8 t -128.49 -44.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.56 -58.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.8 tp -40.2 -63.39 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.2 m 60.32 118.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -139.2 170.25 16.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.85 83.1 0.17 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -164.26 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.44 42.66 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -42.58 156.26 0.25 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -40.91 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.06 152.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 tp 67.59 64.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.263 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.8 pttp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.515 0.198 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -66.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.27 -167.46 1.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 t30 66.96 90.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.569 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 tp -179.14 165.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 5' ' ' LEU . . . 75.38 105.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -39.98 38.3 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.555 1.16 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 0.7 OUTLIER 61.17 76.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 8' ' ' LEU . 4.3 m-20 -166.75 51.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -120.17 -4.63 10.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.623 HG22 ' HB2' ' A' ' 54' ' ' GLU . 2.1 m -61.0 -37.06 81.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' A' ' 54' ' ' GLU . 14.2 tt0 -66.37 -27.36 67.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttt -61.41 -37.67 84.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.77 -26.0 40.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.581 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.0 -39.25 30.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.63 -14.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -85.35 -62.84 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.372 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.593 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 91.9 t -64.98 -11.69 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 4.1 p-10 -44.39 -45.0 8.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 20' ' ' LEU . 3.1 tt -57.39 -39.82 76.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -41.04 -51.65 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.43 -152.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.65 125.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -160.79 52.82 0.34 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.573 1.171 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.036 HG13 HG21 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -118.51 -36.37 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 0.726 . . . . 0.0 109.363 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.666 ' HB1' ' OG ' ' A' ' 67' ' ' SER . . . -38.5 -34.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.67 70.39 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -146.25 18.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 33' ' ' MET . 1.7 pm0 -79.25 1.18 25.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.85 -34.98 9.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.618 ' CE1' ' HB3' ' A' ' 33' ' ' MET . 12.6 p90 -99.41 27.37 5.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.405 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 15.0 t-20 57.34 63.54 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.618 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.84 134.06 61.13 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.07 176.45 9.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.483 ' O ' HG13 ' A' ' 35' ' ' VAL . 14.2 p -69.08 56.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.607 HG22 ' H ' ' A' ' 39' ' ' ALA . 58.7 mt -145.1 161.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -104.18 -32.03 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -64.75 -47.77 77.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.607 ' H ' HG22 ' A' ' 36' ' ' ILE . . . -58.01 -22.16 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.036 HG21 HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -75.0 -32.53 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.08 -37.54 15.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.401 1.063 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 2.0 ptm180 -68.0 -36.05 79.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 3.2 mm-40 -82.88 -72.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.42 109.58 2.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.593 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.3 Cg_endo -74.96 132.92 16.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.593 ' O ' ' N ' ' A' ' 49' ' ' ARG . 3.1 tp10 -57.45 -66.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.689 ' NE2' HD22 ' A' ' 48' ' ' LEU . 41.3 p-80 -36.19 -54.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.552 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.689 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -38.5 -33.17 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.593 ' N ' ' O ' ' A' ' 46' ' ' GLU . 7.0 ptm180 -50.9 -44.35 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 30.6 t -99.26 -29.56 12.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.581 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.5 m-90 -68.76 -22.1 64.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.005 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 25.1 t80 -98.15 -45.88 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.7 ttp180 -86.92 3.13 46.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.623 ' HB2' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -34.42 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.2 ttm180 -79.31 108.72 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.1 mt 66.39 63.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 58' ' ' ALA . 2.1 tp -83.24 0.82 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' ILE . . . -37.35 -38.2 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -101.69 137.78 39.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -178.64 126.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.536 HD22 ' O ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -155.76 162.53 40.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -178.0 -67.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 t 63.25 76.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 65' ' ' ASN . 74.7 t -113.55 -99.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.544 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -83.47 -61.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 78.85 94.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.666 ' OG ' ' HB1' ' A' ' 26' ' ' ALA . 59.0 m -103.32 160.02 15.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.19 134.99 54.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.351 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 0.7 OUTLIER -161.14 145.92 10.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 18.1 Cg_endo -75.01 -178.22 4.02 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.553 ' CE2' ' HD3' ' A' ' 73' ' ' PRO . 3.0 p90 -131.01 -46.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.12 93.46 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 71' ' ' TYR . 18.1 Cg_endo -75.07 -32.57 5.2 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.586 1.835 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt 45.78 -165.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 69.55 94.66 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.528 0.204 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -160.99 158.6 28.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.378 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.71 58.96 1.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.679 ' O ' HD23 ' A' ' 8' ' ' LEU . 15.9 t30 -42.6 137.58 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -111.82 53.77 0.71 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.76 -71.64 0.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.394 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -92.09 -57.98 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 4' ' ' ASN . 0.2 OUTLIER 39.66 73.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -127.75 38.19 4.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 60.32 14.27 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.427 ' CG2' ' CG ' ' A' ' 54' ' ' GLU . 1.8 m -74.09 -63.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -54.09 -22.51 11.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -33.85 76.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.069 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.44 -28.88 62.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -85.98 -41.1 15.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.388 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.75 -16.22 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -81.65 -58.51 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.48 HG13 ' HB2' ' A' ' 21' ' ' ALA . 28.3 t -67.25 -9.81 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -55.93 -19.07 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -92.26 -18.73 23.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -39.06 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.569 1.168 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.26 -163.05 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -163.87 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -121.54 53.67 0.7 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.059 HG13 HG21 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -118.3 -39.54 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.395 0.703 . . . . 0.0 109.347 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -38.27 -43.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.762 ' CD1' HG21 ' A' ' 64' ' ' VAL . 1.3 t80 -135.69 61.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.528 ' CD ' ' O ' ' A' ' 44' ' ' GLN . 1.3 tpmp? -145.77 23.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.488 ' HA ' ' CG ' ' A' ' 33' ' ' MET . 0.1 OUTLIER -87.11 1.77 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -52.52 -42.59 64.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 110.22 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.597 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 9.6 p90 -88.74 25.08 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.2 t30 59.81 63.37 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.629 ' SD ' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -79.36 125.6 82.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -75.01 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 m -67.2 58.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.6 OUTLIER -145.38 164.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.45 ' N ' HG23 ' A' ' 36' ' ' ILE . . . -120.24 -32.45 4.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.45 -11.31 57.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -100.21 -21.8 15.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.093 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.059 HG21 HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -68.78 -34.37 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.474 ' CG ' ' HG3' ' A' ' 45' ' ' PRO . 2.0 tt0 -86.4 -38.3 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -59.79 -34.46 73.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -90.62 -77.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.235 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.528 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 1.1 tt0 -161.14 99.99 1.27 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.648 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.02 134.59 17.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -58.46 -63.76 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.246 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.645 ' NE2' HD22 ' A' ' 48' ' ' LEU . 27.5 p-80 -37.93 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.648 HD23 ' HG2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -70.65 -55.08 9.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 2.6 ptm180 -44.9 -36.95 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.3 m -85.3 -35.59 21.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.596 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -71.66 -7.91 50.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -108.2 -36.77 6.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.7 ttp180 -98.82 1.06 45.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -37.81 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -71.48 71.89 0.69 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 tt 71.63 104.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.733 HG23 ' H ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -121.28 -91.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.733 ' H ' HG23 ' A' ' 57' ' ' ILE . . . -171.26 44.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.7 m80 61.99 -169.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.596 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -94.16 134.46 36.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.624 HD23 ' H ' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -176.73 167.67 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.624 ' H ' HD23 ' A' ' 61' ' ' LEU . . . -165.8 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.06 17.56 4.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.934 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.762 HG21 ' CD1' ' A' ' 27' ' ' PHE . 92.1 t -87.62 -107.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.644 ' N ' HG12 ' A' ' 64' ' ' VAL . 7.7 t-20 -75.89 -65.73 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 tp 65.92 82.9 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.4 m -91.31 166.86 12.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.946 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -174.92 125.14 0.27 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.23 152.1 54.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.18 . . . . 0.0 109.356 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.69 38.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -167.11 147.07 5.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -176.87 95.52 0.24 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.352 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 18.6 Cg_endo -74.94 175.99 10.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 73' ' ' PRO . 13.5 tmtt? -176.47 150.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.19 99.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.46 0.171 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.681 HD22 ' C ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -164.42 163.06 22.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.535 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -158.45 -69.58 0.09 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 57.51 106.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.53 46.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.65 79.76 0.1 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 10' ' ' GLN . 9.5 pttp -77.42 -41.37 40.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 0.1 OUTLIER 40.2 73.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER 63.14 58.11 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.462 ' CB ' ' HB2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -105.22 -5.54 20.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.467 ' CG2' ' CD ' ' A' ' 54' ' ' GLU . 2.1 m -60.81 -50.14 74.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.401 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 18.2 tt0 -69.47 -16.92 63.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -36.27 68.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -69.24 -30.12 68.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.587 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -84.07 -37.15 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER -64.04 -12.42 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -86.95 -63.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 65.9 t -54.59 -19.99 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -57.36 -25.31 59.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -20.28 27.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -63.8 -68.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.24 -166.31 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.64 -144.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.467 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -124.04 50.47 0.85 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.017 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -120.92 -80.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.372 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.25 -22.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.98 -58.47 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 30' ' ' ARG . 5.9 tttt -176.1 111.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -33.64 -34.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 68.27 -60.25 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 46.7 p90 -119.27 25.96 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.425 ' CA ' ' HB2' ' A' ' 29' ' ' GLU . 18.2 t30 62.94 62.94 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.553 ' SD ' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -76.88 142.83 69.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.51 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.05 -175.91 2.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 35' ' ' VAL . 46.2 t -66.75 57.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.523 HG22 ' HB3' ' A' ' 39' ' ' ALA . 1.1 mt -148.78 154.74 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.18 -30.88 6.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -67.19 -13.09 61.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.523 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -98.71 -22.68 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.017 ' CG2' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -68.44 -32.14 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.2 -38.67 14.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -65.66 -31.02 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 3.6 mm-40 -88.73 -78.1 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 110.27 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.23 98.16 2.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.622 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.1 131.75 14.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' ARG . 1.5 tt0 -59.02 -56.21 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.886 ' CE1' HD22 ' A' ' 48' ' ' LEU . 12.6 p80 -42.71 -47.52 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.55 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.886 HD22 ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -46.25 -26.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 4.7 ptm180 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 36.8 m -103.65 -28.25 11.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.587 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -69.84 -21.91 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 13.6 t80 -108.79 -37.17 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.903 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -94.86 2.36 55.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -33.53 -36.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -54.41 88.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' GLU . 2.0 mp 52.96 92.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.903 HD12 ' HB3' ' A' ' 53' ' ' ARG . 6.9 tt -115.9 -53.47 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.505 ' N ' HG23 ' A' ' 57' ' ' ILE . . . 55.6 81.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -178.03 3.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.559 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.0 -11.42 12.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.394 1.059 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.673 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 1.1 tp 47.19 93.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 61' ' ' LEU . . . 165.05 108.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 m -137.1 -82.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.639 HG12 ' N ' ' A' ' 65' ' ' ASN . 97.5 t -89.06 -108.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.639 ' N ' HG12 ' A' ' 64' ' ' VAL . 5.4 t-20 -74.62 -62.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER 51.18 73.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.361 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -124.33 163.64 21.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 0.0 109.95 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.79 165.64 17.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.249 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.03 155.82 70.22 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 176.47 9.89 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.396 1.735 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -142.12 168.67 19.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 110.982 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -155.05 118.12 2.46 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.252 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -64.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.4 1.737 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.15 168.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.11 108.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.222 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 tttm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.458 0.17 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.3 tp -167.18 34.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -161.68 54.41 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 175.32 149.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.53 107.13 8.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.341 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -138.61 58.26 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -76.29 -34.88 59.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER 38.96 57.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 t0 175.14 52.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -98.22 -8.68 26.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.461 ' CG2' ' HG2' ' A' ' 54' ' ' GLU . 2.1 m -63.66 -51.34 65.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 13.1 tt0 -62.65 -15.54 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.3 ttp -74.22 -34.1 63.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 15' ' ' LYS . 34.0 t0 -70.68 -29.98 66.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.376 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -82.84 -52.2 6.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.087 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 1.2 t -42.87 -33.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -66.62 -68.87 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 82.2 t -47.21 -25.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.79 -30.38 22.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.99 -24.51 32.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -54.28 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.692 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 178.59 -149.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.824 ' HB1' ' OE2' ' A' ' 46' ' ' GLU . . . 85.04 132.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.466 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . 172.56 -60.02 0.15 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.717 HG13 HG21 ' A' ' 40' ' ' VAL . 6.4 t -113.04 -27.43 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.598 0.823 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -35.48 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.546 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 33.2 m-85 -113.46 119.13 36.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 10.0 tppt? 160.11 -25.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.2 OUTLIER -42.61 -21.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.49 ' N ' ' C ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -44.68 -24.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.769 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -87.22 21.36 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 111.034 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 29' ' ' GLU . 13.9 t-20 65.25 63.05 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.555 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -80.68 120.26 78.57 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.485 ' O ' ' CE ' ' A' ' 33' ' ' MET . 18.4 Cg_endo -75.04 -179.15 4.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.029 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' ' 35' ' ' VAL . 11.1 p -68.35 56.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.504 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -149.21 156.97 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -114.57 -33.92 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.4 -15.1 56.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.504 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -89.76 -21.02 22.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.717 HG21 HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -63.97 -41.36 92.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -37.61 20.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -65.11 -34.18 77.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 31.1 mm-40 -80.86 -77.47 0.2 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.68 110.05 1.81 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.529 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.5 Cg_endo -74.93 131.46 14.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.824 ' OE2' ' HB1' ' A' ' 23' ' ' ALA . 2.0 pp20? -58.69 -51.13 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.617 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 23.1 p-80 -45.68 -45.05 13.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.606 1.191 . . . . 0.0 109.618 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.617 ' CD2' ' NE2' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -51.38 -26.51 7.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.395 1.06 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.614 ' HD2' HD22 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -59.56 -39.87 85.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 2.8 m -103.88 -27.08 12.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.597 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -70.66 -20.79 62.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 27.2 t80 -107.77 -41.48 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -91.8 2.47 56.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -33.12 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ARG . 3.0 mtp180 -39.1 -54.74 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.17 80.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.4 tt -62.74 -32.48 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.81 112.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 173.37 -175.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.594 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -143.36 92.57 2.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.614 HD22 ' HD2' ' A' ' 49' ' ' ARG . 1.3 mp -110.75 -177.47 3.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 61' ' ' LEU . . . 68.38 88.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 p -165.04 47.94 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.654 ' O ' HD23 ' A' ' 66' ' ' LEU . 78.5 t -124.72 -106.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.651 ' N ' HG12 ' A' ' 64' ' ' VAL . 2.8 t-20 -40.38 -39.08 0.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 64' ' ' VAL . 1.1 pp 37.83 71.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.2 m -52.85 -175.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 70' ' ' PRO . 30.6 ttt180 -95.6 127.93 42.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' ARG . 7.4 tp -39.31 99.75 0.2 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ARG . 18.6 Cg_endo -74.93 179.49 6.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 60.5 173.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.25 75.77 0.27 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.98 -174.28 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -38.72 -61.8 0.68 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.368 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.97 95.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.549 0.214 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.01 175.06 6.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -100.08 153.46 19.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -178.78 144.77 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mp -119.62 174.29 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -126.49 -101.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -118.54 -56.14 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.365 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 tp 75.49 59.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.454 ' OD2' ' CZ ' ' A' ' 55' ' ' ARG . 0.5 OUTLIER 54.64 45.87 25.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -115.3 3.48 14.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.25 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.769 HG22 ' NZ ' ' A' ' 15' ' ' LYS . 2.9 m -64.01 -37.0 85.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -57.46 -27.87 62.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.247 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -34.19 74.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -81.96 -26.13 34.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.769 ' NZ ' HG22 ' A' ' 11' ' ' THR . 0.2 OUTLIER -81.32 -39.92 24.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.56 -19.34 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 19' ' ' ASP . 2.9 t-20 -80.89 -69.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 24.9 t -48.55 -23.17 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -51.53 -35.33 40.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -22.8 67.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.649 ' O ' ' HB3' ' A' ' 22' ' ' ALA . . . -60.86 -55.77 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . 80.54 179.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.57 119.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -130.96 57.43 0.73 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.057 HG22 HG21 ' A' ' 40' ' ' VAL . 1.7 t -117.69 -55.49 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.394 0.703 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -40.0 -43.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.559 ' CD1' ' OE1' ' A' ' 46' ' ' GLU . 2.2 m-85 -37.85 -74.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' CB ' HG21 ' A' ' 64' ' ' VAL . 6.8 tttp -168.06 99.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.7 OUTLIER -42.08 -46.59 4.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.52 -63.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.65 ' OH ' HG22 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -78.37 -11.71 59.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 20.9 t-20 62.55 62.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -90.59 170.35 10.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.98 179.96 5.57 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.464 1.77 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.508 HG12 ' O ' ' A' ' 35' ' ' VAL . 95.5 t -67.01 58.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.614 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -133.54 154.62 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.87 -39.24 6.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -57.95 -16.1 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.614 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -103.1 0.22 31.61 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.057 HG21 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -91.17 -39.35 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.88 -35.96 28.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -60.34 -36.3 77.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' ' CE ' ' A' ' 33' ' ' MET . 75.7 mm-40 -81.28 -79.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.0 115.43 2.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.605 ' HB2' HD23 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.98 78.07 2.97 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.481 1.78 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.559 ' OE1' ' CD1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -47.1 -23.97 0.59 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.743 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 50.6 p-80 -74.31 -27.58 60.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.743 ' CD2' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -67.36 -31.36 71.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.466 ' CG ' ' N ' ' A' ' 50' ' ' SER . 4.3 ptm180 -49.52 -39.9 35.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.466 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.2 m -81.92 -34.14 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.592 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.4 m-90 -79.93 0.24 32.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 108.032 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.0 m-30 -111.79 -39.42 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -98.77 1.11 45.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.752 ' O ' HG21 ' A' ' 11' ' ' THR . 0.6 OUTLIER -36.09 -33.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.454 ' CZ ' ' OD2' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -65.13 89.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.52 52.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 58' ' ' ALA . 1.6 tt -52.92 -51.04 40.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.444 ' N ' HG23 ' A' ' 57' ' ' ILE . . . 60.03 170.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -53.4 139.42 30.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.569 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.61 -56.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.3 134.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.58 96.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 p -135.16 97.3 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.671 HG12 ' N ' ' A' ' 65' ' ' ASN . 69.6 t -68.23 -105.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.671 ' N ' HG12 ' A' ' 64' ' ' VAL . 12.3 m120 -73.19 -54.39 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 54.67 71.46 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 m -78.24 118.92 20.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.942 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.95 153.93 14.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.59 101.67 2.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.86 12.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -153.13 130.56 11.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 177.41 118.57 0.17 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.0 132.92 15.96 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 73' ' ' PRO . 14.7 mttp -38.7 146.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.9 112.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 pttt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.569 0.223 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.69 142.14 55.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.03 104.8 0.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 176.28 147.14 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.522 ' H ' HD23 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -85.13 -72.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -151.29 -87.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.07 -34.98 61.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.522 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 40.54 59.31 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 8' ' ' LEU . 33.9 m-20 -178.99 42.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -77.48 -25.17 50.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.418 HG22 ' HG3' ' A' ' 54' ' ' GLU . 3.3 m -66.42 -53.98 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 15.8 tt0 -57.69 -22.51 46.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.62 -33.87 76.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.043 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.46 -28.55 61.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -83.21 -52.19 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -47.15 -23.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' N ' ' C ' ' A' ' 15' ' ' LYS . 4.8 t-20 -72.86 -62.32 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.1 t -61.7 -14.56 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.412 ' OD1' ' NE1' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -59.25 -15.42 15.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.93 -16.32 21.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.44 -99.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.33 178.21 4.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.57 -93.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.53 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . 172.94 55.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.828 ' HA ' HG21 ' A' ' 40' ' ' VAL . 1.4 t -114.15 -37.36 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.529 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -65.43 -11.83 46.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.576 ' HA ' HG11 ' A' ' 64' ' ' VAL . 2.8 m-85 -132.66 152.24 51.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.173 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.0 OUTLIER 89.08 -16.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.388 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -37.71 -28.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -49.35 -23.15 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.698 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -82.0 8.51 10.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 13.0 t-20 73.83 62.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.617 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -89.19 122.89 68.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.96 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.439 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.06 175.73 10.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.395 1.734 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.2 t -69.09 54.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.572 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -145.8 158.03 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.492 1.12 . . . . 0.0 109.215 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.98 -34.53 6.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.59 -12.14 42.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.572 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -99.67 -19.88 16.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.828 HG21 ' HA ' ' A' ' 25' ' ' VAL . 1.0 OUTLIER -72.95 -38.72 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.99 -38.69 31.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' C ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -63.62 -29.81 71.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 15.5 mm-40 -87.02 -78.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -160.14 102.52 1.4 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.738 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.03 130.69 13.47 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -58.91 -46.66 87.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.701 ' NE2' HD22 ' A' ' 48' ' ' LEU . 16.6 p-80 -50.1 -37.31 33.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.738 HD23 ' HG2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -59.6 -23.15 62.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -62.98 -38.38 90.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.9 t -102.3 -28.61 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.068 . . . . 0.0 109.964 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.551 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -69.7 -28.09 65.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 107.995 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.511 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 23.8 t80 -100.11 -39.55 8.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -90.34 2.45 55.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' SER . 1.8 pm0 -35.42 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 53' ' ' ARG . 4.3 ttt85 -69.22 62.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 79.15 106.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.583 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 15.0 tt -119.08 -57.48 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 57' ' ' ILE . . . 171.34 -161.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.5 107.2 7.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.576 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.33 156.28 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.42 -168.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 0.0 109.209 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.29 -97.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.242 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.12 123.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 27' ' ' PHE . 73.9 t -82.21 -97.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.541 ' N ' HG12 ' A' ' 64' ' ' VAL . 8.2 p30 -40.26 -43.11 1.64 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 tt 49.46 83.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 m -99.91 -86.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.947 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.83 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -168.49 177.82 5.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.83 HD22 ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -174.87 -59.24 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -74.96 154.65 42.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.557 1.82 . . . . 0.0 110.955 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.562 ' CD2' ' HD3' ' A' ' 73' ' ' PRO . 2.7 p90 -151.03 -47.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 111.042 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 71' ' ' TYR . 6.0 pt-20 29.47 91.94 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.562 ' HD3' ' CD2' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.98 73.53 4.28 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.615 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER 166.58 175.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER 172.17 104.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptt? . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.489 0.185 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 49.13 -175.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.59 1.181 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -128.71 125.83 38.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 1.07 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.33 91.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 mp 60.01 169.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.76 -50.4 63.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -174.91 -60.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER 49.38 93.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -155.14 43.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.289 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -111.96 -12.81 13.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.555 HG21 ' CD ' ' A' ' 54' ' ' GLU . 2.3 m -66.69 -53.71 30.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -60.14 -24.29 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 35.5 ttm -63.85 -35.06 79.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -76.67 -26.47 54.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.583 ' HG3' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -84.94 -37.85 20.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.355 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -14.72 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -79.59 -68.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 21.4 t -59.19 -14.36 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.72 -32.18 18.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -26.57 62.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.703 ' O ' ' HB3' ' A' ' 22' ' ' ALA . . . -42.86 -72.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.227 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . 84.69 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 73.91 108.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.48 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -154.75 60.86 0.38 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.017 HG22 HG21 ' A' ' 40' ' ' VAL . 1.4 t -119.18 -64.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.72 -25.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.705 ' CE1' ' CB ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -72.74 -42.76 63.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.952 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.582 ' N ' ' CD1' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -177.33 130.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 0.0 109.347 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -103.72 -45.46 4.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.11 -70.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 110.285 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.68 ' OH ' HG22 ' A' ' 40' ' ' VAL . 1.1 p90 -62.42 -15.49 49.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.401 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 20.5 t30 62.06 62.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.491 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -86.52 168.88 16.78 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.05 -176.72 3.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.9 t -66.53 59.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.63 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -135.72 155.76 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.373 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.2 -40.88 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.42 -17.68 8.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.63 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -98.05 -13.98 20.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.017 HG21 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -75.92 -41.75 39.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.402 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CG ' ' HB3' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -76.01 -40.26 54.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -39.23 77.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.639 ' CB ' ' CD2' ' A' ' 31' ' ' TYR . 11.0 mm-40 -82.68 -67.71 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -151.92 102.41 2.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.246 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.672 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -75.05 129.72 12.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.705 ' CB ' ' CE1' ' A' ' 27' ' ' PHE . 2.3 pm0 -61.42 -42.16 98.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.648 ' NE2' HD22 ' A' ' 48' ' ' LEU . 25.4 p-80 -54.61 -36.72 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.56 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 45' ' ' PRO . 1.1 mm? -58.8 -22.63 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 3.6 ptm180 -62.38 -40.02 95.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 67.1 m -103.48 -27.74 12.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.583 ' CD2' ' HG3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -69.69 -24.08 63.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 8.3 t80 -106.37 -38.15 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.695 ' NH2' ' HB3' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -92.57 1.35 57.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.555 ' CD ' HG21 ' A' ' 11' ' ' THR . 0.0 OUTLIER -34.35 -35.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -48.97 -70.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.56 97.14 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.543 HG23 ' N ' ' A' ' 58' ' ' ALA . 2.3 tt -61.61 -57.05 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.695 ' HB3' ' NH2' ' A' ' 53' ' ' ARG . . . 67.8 -170.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -114.21 170.05 8.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.563 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.681 ' C ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER 48.96 94.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.681 HD12 ' C ' ' A' ' 60' ' ' ARG . 7.0 mp -118.42 -40.69 2.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -174.12 101.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.8 p -90.74 64.84 5.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.655 HG12 ' N ' ' A' ' 65' ' ' ASN . 88.1 t -83.62 -106.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.655 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.9 OUTLIER -90.02 -39.65 12.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 tt 75.7 98.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -45.02 143.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.005 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -167.46 165.81 14.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.738 ' O ' HD23 ' A' ' 69' ' ' LEU . 1.3 tt 62.22 113.11 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.153 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.96 141.73 27.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.79 . . . . 0.0 111.069 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -75.65 169.71 17.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -120.73 119.71 29.98 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -44.75 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.773 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.34 -71.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 70.12 92.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.369 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.498 0.189 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tp -58.6 157.61 8.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -149.42 -176.54 5.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.416 ' OD1' HD11 ' A' ' 8' ' ' LEU . 2.6 m-20 -177.14 148.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.535 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -57.34 -74.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 5' ' ' LEU . . . 174.06 -94.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -29.8 61.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.416 HD11 ' OD1' ' A' ' 4' ' ' ASN . 15.9 mt 44.57 71.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 41.1 t0 178.33 47.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -80.88 -13.08 59.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 m -63.02 -46.48 87.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 17.0 tt0 -61.85 -18.81 61.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -34.68 73.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.353 1.033 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.46 -29.32 61.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -79.16 -51.77 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -49.14 -22.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.404 ' N ' ' C ' ' A' ' 15' ' ' LYS . 5.6 t-20 -77.8 -63.55 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.568 HG13 ' CB ' ' A' ' 21' ' ' ALA . 88.8 t -56.0 -18.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -48.26 -24.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.79 -27.68 13.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -40.13 -67.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.15 -175.48 4.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.04 -169.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.563 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -127.58 53.34 0.8 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.13 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.984 ' HA ' HG21 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -116.92 -24.47 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.56 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.625 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -102.32 108.26 19.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.625 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER 154.23 -22.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -47.97 -16.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' C ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -43.99 -24.74 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.741 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -88.0 20.43 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 29' ' ' GLU . 17.7 t30 65.86 64.48 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.669 ' CE ' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -77.99 132.09 68.3 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.468 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 18.3 Cg_endo -74.96 176.41 9.94 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 35' ' ' VAL . 98.2 t -72.33 48.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.062 . . . . 0.0 109.315 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 37' ' ' ALA . 81.6 mt -146.84 165.25 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.494 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -105.66 -34.55 7.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 36' ' ' ILE . 15.7 tt0 -63.14 -18.26 63.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -80.56 -25.14 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.984 HG21 ' HA ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -71.15 -40.0 74.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.67 -37.02 19.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 38' ' ' GLU . 10.9 ttt-85 -66.3 -25.75 66.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -97.23 -77.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.29 102.16 2.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.568 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.5 Cg_endo -75.01 131.14 13.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -59.12 -55.42 35.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.352 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.641 ' NE2' HD22 ' A' ' 48' ' ' LEU . 33.3 p-80 -43.2 -46.28 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.591 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.641 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -47.35 -28.36 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.235 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.5 ptm180 -57.29 -41.14 79.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.5 p -100.85 -28.77 12.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.576 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -69.35 -30.26 68.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 34.7 t80 -94.71 -43.03 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -87.17 2.04 51.16 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -33.13 -37.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' ARG . 16.4 mtt180 -40.47 -40.13 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tp -133.2 84.83 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -53.61 -33.59 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.66 152.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.4 m80 66.05 91.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.556 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 10.6 mtp-105 -152.63 107.56 3.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 tt -173.84 147.16 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -177.0 -76.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.155 . . . . 0.0 109.349 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 t 53.84 99.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.45 ' CG1' ' OE2' ' A' ' 29' ' ' GLU . 16.1 t -113.37 -9.61 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.03 -67.66 0.81 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.52 -72.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.6 m 53.08 100.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.2 172.85 15.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.39 72.5 0.24 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.066 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -177.27 3.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -39.58 152.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -80.59 125.45 80.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.436 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.02 -174.8 2.07 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.567 1.825 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 168.23 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.99 118.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.379 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.373 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptp . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.537 0.208 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 2' ' ' LEU . 0.9 OUTLIER -57.9 165.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.244 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 6.7 ptmt -159.1 131.37 6.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.25 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 4.6 m-20 159.16 123.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -171.37 -171.1 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.58 99.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 7.4 tmtt? -174.27 -58.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER 163.48 77.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 50.17 45.55 25.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -114.23 1.84 14.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.248 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.8 m -63.65 -50.25 70.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.484 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.72 -27.17 67.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -34.18 76.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.08 -25.05 40.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -82.89 -55.72 4.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -42.61 -33.58 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -59.41 -68.93 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.6 t -51.55 -36.43 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.223 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -17.39 10.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.38 -19.65 45.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.684 ' O ' ' HB2' ' A' ' 22' ' ' ALA . . . -73.57 -102.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 21' ' ' ALA . . . 162.84 -165.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 63.61 144.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.63 ' O ' HG11 ' A' ' 40' ' ' VAL . . . 173.1 49.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.169 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -111.14 -75.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.563 0.802 . . . . 0.0 109.366 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' O ' HG21 ' A' ' 64' ' ' VAL . . . -42.81 -53.84 4.41 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' ALA . 79.1 m-85 -36.37 -48.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 4.9 tttt -146.6 67.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.226 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.659 ' OE2' HG12 ' A' ' 25' ' ' VAL . 1.5 mm-40 -66.06 -41.08 91.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.435 ' C ' ' N ' ' A' ' 32' ' ' ASN . 0.2 OUTLIER 37.7 -89.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.586 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.1 p90 -47.09 -19.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 30' ' ' ARG . 19.6 t-20 65.25 60.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.757 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 2.8 mmt -82.96 164.71 45.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.611 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 -177.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.39 63.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.611 ' N ' ' O ' ' A' ' 34' ' ' PRO . 1.0 OUTLIER -138.76 154.62 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' VAL . . . -107.38 -48.25 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -44.77 -42.19 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.757 ' HB1' ' SD ' ' A' ' 33' ' ' MET . . . -72.28 -34.17 68.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.169 ' CG2' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -57.64 -40.71 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.26 -37.37 53.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -43.09 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.237 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 3.0 mm-40 -81.64 -76.39 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -158.68 116.17 1.7 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.521 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.5 Cg_endo -74.92 129.59 12.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.562 1.822 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.9 OUTLIER -58.29 -58.51 8.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.879 ' CE1' HD22 ' A' ' 48' ' ' LEU . 12.5 p80 -41.15 -50.77 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.564 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.879 HD22 ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -41.93 -29.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.523 ' CG ' ' N ' ' A' ' 50' ' ' SER . 5.1 ptm180 -57.68 -44.01 85.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.523 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.1 m -101.15 -27.26 13.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.987 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -68.63 -29.65 68.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 9.4 t80 -96.57 -43.17 7.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.782 HH21 ' HB3' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -86.19 1.36 51.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' HA ' ' CG2' ' A' ' 57' ' ' ILE . 3.0 pt-20 -33.82 -36.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.9 ttt180 -49.11 -58.61 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.25 66.21 1.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.481 ' CG2' ' HA ' ' A' ' 54' ' ' GLU . 20.5 pt -49.25 -50.32 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.782 ' HB3' HH21 ' A' ' 53' ' ' ARG . . . 46.81 59.48 3.94 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -67.15 162.23 22.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.62 ' HB3' HD23 ' A' ' 61' ' ' LEU . 21.4 mtp180 -149.35 -89.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.073 . . . . 0.0 110.339 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' A' ' 60' ' ' ARG . 1.9 pt? -174.23 168.4 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 66.34 102.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 p -108.83 -73.34 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.533 HG12 ' N ' ' A' ' 65' ' ' ASN . 80.1 t -150.43 -99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.533 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.9 OUTLIER -120.33 -52.81 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.442 ' HB2' ' CB ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -88.87 50.57 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 m -57.53 -164.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -39.69 142.23 0.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 mt -138.67 158.62 69.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.91 7.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -160.05 169.31 23.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.609 1.193 . . . . 0.0 111.074 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -169.42 96.66 0.5 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -54.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 4.0 ttmt 66.73 157.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.8 OUTLIER 86.16 123.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.8 tptp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mpp? . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.4 0.143 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 72.25 -168.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.597 1.186 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.4 mttm 68.17 143.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.581 ' C ' HD13 ' A' ' 5' ' ' LEU . 11.8 p30 -92.46 137.13 32.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.581 HD13 ' C ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -178.11 179.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.22 -102.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 10' ' ' GLN . 8.6 ttmt -174.17 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.221 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 12' ' ' GLU . 4.1 mt 46.65 52.27 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 11' ' ' THR . 5.5 m-20 47.74 34.56 3.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.469 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER 39.1 28.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 54' ' ' GLU . 2.0 m -109.91 -43.5 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.454 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.479 ' HB3' HD13 ' A' ' 8' ' ' LEU . 13.8 tt0 -78.65 -9.09 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -33.84 27.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.516 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.1 t70 -69.03 -33.27 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -81.28 -40.15 24.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.95 -16.27 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -90.85 -51.21 5.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.792 HG13 ' HB3' ' A' ' 21' ' ' ALA . 42.0 t -61.84 -14.13 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' VAL . 1.3 t70 -38.42 -31.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -91.22 -46.71 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.182 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.792 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -61.7 -13.84 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -38.47 141.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.43 -155.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' C ' HG11 ' A' ' 40' ' ' VAL . . . -146.81 -82.37 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.041 HG22 HG21 ' A' ' 40' ' ' VAL . 1.8 t -110.78 -20.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.57 0.806 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -35.99 -57.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -124.15 48.81 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.56 ' O ' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -141.79 40.21 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.7 OUTLIER -86.03 1.68 49.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' C ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -35.45 -85.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.667 ' OH ' HG22 ' A' ' 40' ' ' VAL . 1.2 p90 -46.17 -20.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' GLU . 19.4 t30 63.78 61.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.43 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -84.07 173.13 7.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.01 -178.02 3.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.7 59.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.572 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -135.73 154.23 34.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.22 -36.71 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.57 -16.62 26.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.572 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -100.52 -4.63 28.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.041 HG21 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -84.56 -37.16 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.4 -37.01 22.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.518 ' C ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -64.98 -33.74 76.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.58 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 54.3 mm-40 -74.82 -78.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -161.04 97.84 1.33 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.82 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.06 132.48 15.39 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.529 1.805 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -59.18 -37.44 77.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.663 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 10.4 p-80 -60.5 -18.92 55.02 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.925 HD12 ' CE2' ' A' ' 52' ' ' PHE . 1.2 mm? -86.16 -60.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -54.87 -31.38 59.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 49' ' ' ARG . 2.0 t -77.92 -38.08 46.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.634 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.2 m-90 -81.49 -2.89 51.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 107.982 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.925 ' CE2' HD12 ' A' ' 48' ' ' LEU . 1.1 m-85 -110.02 -44.6 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -90.9 0.47 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' HG2' ' CG2' ' A' ' 11' ' ' THR . 6.8 pm0 -36.52 -33.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 53' ' ' ARG . 34.9 mtm-85 -53.01 -53.98 42.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -119.77 65.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.327 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 tp -58.75 -39.21 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 57.38 -172.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -57.78 111.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.619 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -95.35 138.71 32.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -134.73 174.62 10.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 61' ' ' LEU . . . -179.98 103.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.29 73.16 1.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 109.924 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.654 HG12 ' N ' ' A' ' 65' ' ' ASN . 82.4 t -125.88 -106.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.654 ' N ' HG12 ' A' ' 64' ' ' VAL . 6.0 m-20 -69.78 -74.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 65' ' ' ASN . 0.4 OUTLIER 87.12 -48.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 m 63.54 -177.1 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -112.51 143.2 44.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.91 131.56 94.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -165.65 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.21 -59.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 61.12 77.16 0.37 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.9 5.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.73 147.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -179.6 106.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tttt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.48 0.181 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 178.07 117.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.49 -168.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 179.22 87.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.597 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -174.95 65.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 5' ' ' LEU . . . 169.82 106.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.03 -52.93 5.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.413 1.071 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mt 51.42 96.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 10' ' ' GLN . 2.5 t70 -96.1 35.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.415 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 0.8 OUTLIER 80.8 -50.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 110.33 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.52 ' CG2' ' CD ' ' A' ' 54' ' ' GLU . 6.4 m -59.47 -43.03 93.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 15.0 tt0 -73.0 -8.15 54.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -83.8 -26.09 29.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 13' ' ' MET . 39.6 t0 -79.07 -29.75 43.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.633 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.15 -57.14 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -38.03 -36.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 19' ' ' ASP . 5.2 t-20 -63.14 -68.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.628 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 49.1 t -45.1 -27.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 17' ' ' ASN . 3.0 t70 -53.01 -42.71 65.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.34 -22.88 61.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -63.05 -72.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.609 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . 171.78 136.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 22' ' ' ALA . . . 169.22 82.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.477 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -142.21 -79.46 0.05 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.885 HG13 HG21 ' A' ' 40' ' ' VAL . 2.1 t -109.12 -20.81 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.57 -29.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.642 ' CE1' HG23 ' A' ' 64' ' ' VAL . 57.3 t80 -140.69 174.58 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.552 ' N ' ' CD2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER 88.44 -24.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.7 ' CD ' HG11 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -37.99 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -49.08 -22.29 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.757 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -85.75 15.8 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.471 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 12.9 t-20 65.34 63.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.616 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.22 123.65 72.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.432 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.02 177.01 9.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.0 m -68.53 55.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.579 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -145.37 158.13 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.8 -37.18 5.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 0.0 109.237 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.76 -13.34 22.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.579 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -99.07 -18.41 17.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.885 HG21 HG13 ' A' ' 25' ' ' VAL . 1.2 t -71.58 -38.02 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.65 -36.32 18.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 110.343 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.9 ttp85 -67.9 -32.04 72.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -80.7 -75.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.349 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.37 108.06 5.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.945 ' HB2' HD23 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -75.06 79.57 2.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -28.17 -58.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.662 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 34.9 p-80 -45.78 -49.29 15.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.62 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.945 HD23 ' HB2' ' A' ' 45' ' ' PRO . 3.5 mm? -45.4 -29.88 1.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.525 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -55.12 -40.71 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 49.9 m -104.61 -25.86 12.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.633 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -73.62 -24.5 60.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 108.061 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 14.9 t80 -105.47 -39.34 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -90.95 1.3 57.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.52 ' CD ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -33.56 -36.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 53' ' ' ARG . 42.8 mtt180 -42.53 -64.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -142.72 78.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.31 -29.16 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -41.37 109.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -149.32 -83.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.539 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -176.55 133.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.621 HD13 ' C ' ' A' ' 61' ' ' LEU . 1.9 tm? -148.22 112.81 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.417 ' N ' HD13 ' A' ' 61' ' ' LEU . . . -62.99 -99.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.393 1.058 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 62' ' ' ALA . 3.2 p 165.3 124.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.7 HG11 ' CD ' ' A' ' 29' ' ' GLU . 74.6 t -76.02 -101.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.246 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.582 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -79.26 -71.21 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 tp 70.1 78.48 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.5 m -115.45 119.23 35.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.002 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -161.39 137.6 8.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -178.18 89.81 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.221 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 177.76 8.17 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.513 1.796 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -166.18 -176.45 3.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 67.24 85.43 0.15 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -74.99 -40.69 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.478 1.778 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 163.63 -78.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 57.63 79.75 0.19 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.507 0.194 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.8 mt -67.08 162.75 21.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -117.21 135.61 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 3' ' ' LYS . 4.0 m120 -163.63 149.39 11.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 3.9 mm? -46.74 170.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 5' ' ' LEU . . . 71.63 75.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -73.83 -26.4 60.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tp 65.28 101.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 178.04 45.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.88 -17.8 61.0 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.586 1.179 . . . . 0.0 110.323 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.424 HG22 ' HB2' ' A' ' 54' ' ' GLU . 88.7 m -67.7 -52.27 39.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.452 ' CB ' ' OE1' ' A' ' 54' ' ' GLU . 9.8 tt0 -57.33 -28.73 63.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -34.66 73.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -83.84 -25.87 29.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.595 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.18 -39.85 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.7 -14.74 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -87.89 -62.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.52 -15.23 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -55.35 -18.38 6.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -105.03 -21.19 13.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.243 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -39.33 -89.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.52 -166.36 1.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.107 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.7 -101.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -176.83 50.28 0.11 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.903 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -116.07 -72.42 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.439 0.729 . . . . 0.0 109.222 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.05 -42.42 6.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.507 ' HD1' ' HB1' ' A' ' 62' ' ' ALA . 22.9 m-85 -57.11 -37.37 71.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' VAL . 3.2 tptt -178.65 124.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.592 ' O ' ' CG ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -104.62 -46.14 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.08 -79.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.656 ' CD2' ' CB ' ' A' ' 43' ' ' GLU . 1.4 p90 -53.16 -17.35 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 62.05 61.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.765 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 3.0 mmt -84.47 164.65 42.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.593 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.95 -177.76 3.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.591 ' O ' HG23 ' A' ' 35' ' ' VAL . 32.2 m -61.71 69.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.623 ' CG2' ' H ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -145.78 156.2 12.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.431 ' O ' ' HB ' ' A' ' 40' ' ' VAL . . . -109.84 -40.1 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -49.55 69.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.765 ' HB1' ' SD ' ' A' ' 33' ' ' MET . . . -66.49 -25.15 66.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.903 ' CG2' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -67.93 -41.16 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' CG ' ' HG3' ' A' ' 45' ' ' PRO . 0.9 OUTLIER -74.42 -35.54 63.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.233 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -58.97 -36.22 74.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.656 ' CB ' ' CD2' ' A' ' 31' ' ' TYR . 19.9 mm-40 -81.83 -80.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.99 97.76 0.75 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.598 1.186 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.624 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.6 Cg_endo -74.88 130.7 13.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 4.4 tm-20 -61.78 -41.83 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.692 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 30.7 p-80 -58.22 -15.82 11.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.613 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.624 HD23 ' HG2' ' A' ' 45' ' ' PRO . 2.3 mm? -87.88 -54.88 4.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.0 ptm180 -47.43 -36.54 10.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' GLU . 2.9 t -82.16 -37.49 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.692 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.0 OUTLIER -72.89 -12.02 60.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 108.021 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -98.8 -36.18 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -99.18 -0.93 40.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -47.74 -64.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER 34.54 -94.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 54' ' ' GLU . 1.4 tp -144.7 48.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.0 tt -96.57 -39.49 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 65.6 173.29 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.1 m170 68.19 175.03 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' N ' ' CD ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -171.05 165.68 7.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.3 mt -141.68 148.59 39.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.507 ' HB1' ' HD1' ' A' ' 27' ' ' PHE . . . -173.69 100.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 p -163.09 52.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.4 t -104.84 -10.46 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.368 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -120.51 -67.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER 73.34 58.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 m -53.8 166.13 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.948 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -165.57 96.86 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.87 91.51 2.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.18 28.85 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -116.12 168.92 9.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -131.81 128.11 21.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.03 104.06 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -39.01 140.48 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER 168.09 103.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.369 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.524 0.202 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 tp -163.29 134.7 4.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 5' ' ' LEU . 3.4 pttt -140.25 150.06 43.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -65.77 77.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.652 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -174.22 117.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 5' ' ' LEU . . . 165.8 99.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.673 ' O ' ' N ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -74.89 -27.29 60.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.17 61.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.393 1.058 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.673 ' N ' ' O ' ' A' ' 7' ' ' LYS . 40.3 p30 -162.89 40.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 -89.71 3.8 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.493 HG21 ' O ' ' A' ' 54' ' ' GLU . 25.9 m -53.68 -23.62 12.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -72.67 -26.76 61.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.0 ttp -61.84 -40.22 94.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.36 -27.31 59.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.583 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -79.61 -45.47 19.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -50.52 -22.84 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 19' ' ' ASP . 1.8 t-20 -85.52 -72.06 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.49 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 52.6 t -44.44 -26.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.42 ' N ' ' C ' ' A' ' 17' ' ' ASN . 3.4 t70 -39.73 -61.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 21' ' ' ALA . 3.9 pp -69.5 -44.07 71.83 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . . . -34.06 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.82 166.56 10.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.95 -88.53 0.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . 165.29 42.6 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.004 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -118.8 -37.1 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -36.86 -51.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.654 ' CE2' HD21 ' A' ' 61' ' ' LEU . 7.6 p90 -131.61 59.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -139.91 25.01 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.667 ' OE1' HG11 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -96.22 0.92 51.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -58.58 -26.45 63.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.602 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 6.2 p90 -99.65 21.65 12.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.432 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 16.2 t-20 63.65 62.48 0.92 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.22 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.599 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.82 134.37 60.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.03 172.69 15.87 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 35' ' ' VAL . 54.7 t -70.42 54.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 39' ' ' ALA . 71.3 mt -145.02 158.53 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.94 -39.08 9.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -61.24 -48.01 83.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 110.259 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.63 ' H ' HG22 ' A' ' 36' ' ' ILE . . . -55.25 -24.85 30.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 109.378 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.004 ' CG2' HG13 ' A' ' 25' ' ' VAL . 1.1 t -75.45 -32.42 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' A' ' 45' ' ' PRO . 3.5 mt-10 -88.26 -36.28 16.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 2.4 ptm180 -63.15 -29.7 71.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.591 ' OE1' ' CD1' ' A' ' 31' ' ' TYR . 2.6 mm-40 -88.01 -81.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.72 94.54 1.67 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.67 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.01 131.32 14.15 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.595 ' CD ' ' CZ ' ' A' ' 27' ' ' PHE . 2.4 pp20? -61.87 -39.94 93.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.709 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 16.1 p-80 -59.68 -15.23 18.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.574 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.67 HD23 ' HG2' ' A' ' 45' ' ' PRO . 2.0 mm? -87.77 -47.96 8.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.7 ptm180 -51.54 -36.97 47.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 2.7 m -83.95 -34.41 24.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.709 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.0 OUTLIER -73.67 -9.87 59.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 108.058 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 1.5 m-85 -103.96 -38.19 7.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.0 ttp180 -97.68 1.0 48.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.493 ' O ' HG21 ' A' ' 11' ' ' THR . 5.4 pt-20 -36.37 -33.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ARG . 7.2 ttp180 -44.09 -52.15 7.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.347 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -164.52 79.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 58' ' ' ALA . 13.2 tt -96.87 -50.52 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.438 ' N ' HG23 ' A' ' 57' ' ' ILE . . . 48.74 -165.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.567 ' O ' ' C ' ' A' ' 60' ' ' ARG . 0.5 OUTLIER 57.21 39.12 28.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.567 ' C ' ' O ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER 23.98 -95.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.654 HD21 ' CE2' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -158.03 -169.64 2.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.77 -105.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.7 t 172.9 120.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.557 1.161 . . . . 0.0 109.934 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.667 HG11 ' OE1' ' A' ' 29' ' ' GLU . 77.2 t -131.54 -104.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.631 ' N ' HG12 ' A' ' 64' ' ' VAL . 1.8 p-10 -40.63 -57.48 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' A' ' 65' ' ' ASN . 1.4 tp 85.63 -48.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m 55.89 -92.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.918 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.91 161.52 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.518 ' H ' HD23 ' A' ' 69' ' ' LEU . 1.6 pt? -108.2 143.38 27.3 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.08 121.62 6.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.544 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 10.9 p90 -124.31 123.68 40.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -123.97 101.63 35.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 148.95 36.26 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.481 1.779 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.03 167.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 175.33 114.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 mtt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.498 0.19 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.01 -85.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.38 -76.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t30 174.01 150.71 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.833 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.3 pp -114.27 -58.67 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.833 ' N ' HD12 ' A' ' 5' ' ' LEU . . . 40.19 78.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -34.03 61.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 9' ' ' ASP . 2.3 mt 52.65 95.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER 159.09 57.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -97.39 -18.63 18.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.37 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.678 HG22 ' OE1' ' A' ' 54' ' ' GLU . 2.1 m -70.5 -62.42 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -58.85 -22.43 58.94 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -35.46 78.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -72.62 -27.83 62.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.611 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -86.42 -38.88 16.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 109.323 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -59.33 -15.76 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -75.67 -62.65 1.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.677 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 78.1 t -54.81 -20.21 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -47.3 -49.66 23.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -28.22 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -63.26 -56.02 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . 82.19 -69.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.15 153.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.485 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -137.34 -84.02 0.13 Allowed Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.903 HG13 HG21 ' A' ' 40' ' ' VAL . 1.8 t -106.47 -43.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.632 0.842 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -38.13 -31.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' VAL . 31.8 t80 -131.55 169.77 15.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' CE ' ' HA ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER 75.5 1.51 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.1 OUTLIER -65.87 -3.63 5.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -14.44 9.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.714 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -91.39 12.33 20.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.451 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 20.7 t30 64.66 65.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.17 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.603 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.05 126.73 83.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 111.049 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.93 177.7 8.22 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 35' ' ' VAL . 50.2 t -66.59 56.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.557 HG22 ' HB3' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -150.28 159.49 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.77 -35.88 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.23 -8.91 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -105.67 -1.6 24.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.903 HG21 HG13 ' A' ' 25' ' ' VAL . 1.2 t -84.02 -37.22 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.6 -30.88 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -24.42 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.243 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.579 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 8.6 mm-40 -73.62 -81.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.74 120.68 0.94 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.92 ' HB2' HD23 ' A' ' 48' ' ' LEU . 18.0 Cg_endo -75.03 79.07 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -31.94 -36.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.611 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 8.4 p-80 -55.11 -12.19 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.596 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.92 HD23 ' HB2' ' A' ' 45' ' ' PRO . 3.5 mm? -82.87 -45.82 13.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 4.6 ptm180 -49.98 -37.1 30.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.7 m -83.25 -33.95 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.611 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -76.73 -11.14 59.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 108.007 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CE2' HD12 ' A' ' 48' ' ' LEU . 2.0 m-85 -100.6 -39.28 7.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -101.41 0.26 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 0.0 110.4 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.678 ' OE1' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -34.73 -83.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.596 ' HA ' HG21 ' A' ' 11' ' ' THR . 3.4 ttm180 39.85 28.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER 76.67 52.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.623 HG22 ' HA ' ' A' ' 54' ' ' GLU . 1.4 tt -107.82 -24.74 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.63 153.53 13.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -172.96 68.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.617 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.49 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.2 OUTLIER 65.92 139.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.242 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.49 HD22 ' O ' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -159.04 121.25 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.224 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -164.76 96.31 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.43 -42.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 65' ' ' ASN . 69.9 t -41.72 -90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.406 ' N ' HG12 ' A' ' 64' ' ' VAL . 9.4 p-10 -83.89 -53.38 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.2 tp -176.67 -75.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.6 m 64.97 93.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.053 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -129.25 178.44 6.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.358 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.94 161.03 66.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 146.26 32.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -101.6 171.88 7.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -51.95 115.09 6.11 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -74.92 -45.49 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 1.2 mmtp 162.44 162.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.353 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.412 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER 81.72 106.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.557 0.217 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mt -149.87 175.42 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.378 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -105.26 104.3 14.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -64.94 149.24 50.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mt -42.28 162.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.132 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.39 -59.75 0.81 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -176.98 -50.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.676 HD13 HD11 ' A' ' 56' ' ' LEU . 0.2 OUTLIER 80.89 72.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER 156.64 57.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -117.78 13.19 14.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.9 m -72.09 -35.71 69.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.49 -25.75 67.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mmm -62.4 -35.69 79.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -78.65 -29.68 45.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.354 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.578 ' HG3' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -77.25 -38.31 51.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -11.72 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -97.62 -57.0 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.7 t -57.89 -16.07 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -58.16 -16.78 14.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -100.03 -4.33 30.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 20' ' ' LEU . . . -44.68 -94.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.93 76.98 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 40.68 -154.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.573 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -143.64 67.12 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.117 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.916 ' HA ' HG21 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -120.67 -40.69 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.76 -71.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -97.38 47.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 110.992 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 1.1 tpmp? -129.5 4.89 5.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.081 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 33' ' ' MET . 0.2 OUTLIER -75.59 2.33 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.268 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -21.84 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.682 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 1.3 p90 -108.71 24.5 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 111.017 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 16.3 t-20 64.61 65.38 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . 1.004 ' SD ' HG23 ' A' ' 40' ' ' VAL . 7.1 tpt -83.44 124.78 75.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.557 ' HD2' ' HE3' ' A' ' 33' ' ' MET . 18.2 Cg_endo -74.99 178.7 6.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.4 m -68.1 59.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.679 ' O ' ' HE2' ' A' ' 33' ' ' MET . 49.3 mt -145.12 161.84 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -120.95 -17.21 7.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.37 1.16 56.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.751 ' HB3' ' CE ' ' A' ' 33' ' ' MET . . . -106.22 -14.26 15.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.004 HG23 ' SD ' ' A' ' 33' ' ' MET . 0.8 OUTLIER -76.38 -37.24 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.49 -37.17 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.509 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 5.2 ptm180 -62.29 -33.06 73.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.511 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 18.9 mm-40 -86.99 -80.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -162.4 98.08 1.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.649 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -74.93 132.54 15.63 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.79 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -60.4 -46.62 89.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.675 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 32.4 p-80 -53.52 -18.22 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.649 HD23 ' HG2' ' A' ' 45' ' ' PRO . 1.8 mm? -86.63 -59.27 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.4 ptm180 -50.58 -37.3 39.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.7 t -75.64 -39.79 57.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.675 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.1 m-90 -75.38 -10.76 59.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 107.975 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.597 ' CE1' HD12 ' A' ' 48' ' ' LEU . 2.4 m-85 -100.66 -41.1 7.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.538 ' CG ' ' O ' ' A' ' 53' ' ' ARG . 9.0 ttt180 -97.69 -1.99 42.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.269 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.898 ' O ' HG23 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -34.8 -92.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.547 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 25.78 88.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 110.223 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.676 HD11 HD13 ' A' ' 8' ' ' LEU . 1.1 mt 38.37 87.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.37 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 54' ' ' GLU . 1.1 pt -108.65 -52.75 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 54.16 76.86 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.39 168.98 18.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.53 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.75 174.71 10.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 1.06 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 4.5 mp -108.85 -176.68 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 63' ' ' SER . . . -104.85 -76.22 0.61 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 62' ' ' ALA . 2.3 p 164.46 70.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.528 ' HB ' ' CG ' ' A' ' 27' ' ' PHE . 2.8 t -97.9 -10.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.95 -67.6 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.178 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 tt -171.81 -55.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.2 m 62.07 138.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -165.6 156.73 13.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -68.86 146.58 97.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.02 178.07 7.76 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.77 138.14 43.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.34 111.41 3.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.1 Cg_endo -74.9 -2.16 12.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.416 1.746 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -38.6 139.42 0.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.764 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER 168.85 112.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 0.0 109.265 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.544 0.211 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -167.97 178.39 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.25 132.35 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.75 150.79 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.23 112.57 16.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -179.21 86.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.578 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -86.89 -51.38 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 7' ' ' LYS . 1.3 tp 173.1 107.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 60.98 40.78 14.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.36 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' A' ' 13' ' ' MET . 1.1 tt0 -74.4 -2.66 26.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.517 HG21 ' OE2' ' A' ' 54' ' ' GLU . 16.4 m -95.32 -25.57 16.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -81.34 -15.03 56.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.067 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -74.38 -31.02 62.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -74.57 -30.04 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.587 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -81.11 -52.72 7.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -41.18 -32.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 15' ' ' LYS . 6.1 t-20 -66.88 -66.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.693 HG13 ' HB3' ' A' ' 21' ' ' ALA . 40.0 t -57.88 -16.74 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 17.8 t70 -40.72 -29.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' N ' ' C ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -82.11 -48.25 11.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.693 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -59.83 -16.4 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' ALA . . . -39.12 155.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB3' ' OE1' ' A' ' 46' ' ' GLU . . . -98.37 -158.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.22 -85.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.039 HG22 HG21 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -109.25 -14.43 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.496 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -32.81 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.483 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 4.1 p90 -124.34 160.25 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER 87.32 7.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.594 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -38.01 -48.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.244 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 59.57 -71.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 110.268 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.616 ' CD1' ' HB2' ' A' ' 33' ' ' MET . 2.7 p90 -67.03 -18.01 65.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 22.1 t30 62.15 64.74 0.94 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.616 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 4.7 tpp -80.05 138.69 53.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.607 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.01 -174.09 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -41.68 89.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 109.345 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.607 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -179.17 149.73 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.45 -18.88 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.65 -48.26 55.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.306 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.489 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -74.49 -2.87 27.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.039 HG21 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -80.24 -49.5 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.55 -33.78 47.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -32.66 73.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 13.2 mm-40 -75.47 -77.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.36 116.14 2.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 110.207 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.618 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.2 Cg_endo -75.02 132.82 15.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.64 ' O ' ' N ' ' A' ' 49' ' ' ARG . 1.1 mp0 -58.02 -65.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.692 ' NE2' HD22 ' A' ' 48' ' ' LEU . 43.1 p-80 -36.3 -52.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.594 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -41.65 -28.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.64 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.5 ptm180 -59.65 -43.76 93.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 2.9 m -102.65 -22.79 13.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.587 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -71.56 -20.66 61.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.006 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -113.98 -30.27 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -103.13 2.43 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.389 1.056 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.575 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -30.69 -40.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.524 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER 29.02 -142.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.28 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.6 45.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.724 HG23 ' H ' ' A' ' 58' ' ' ALA . 2.8 tt -40.61 -74.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.724 ' H ' HG23 ' A' ' 57' ' ' ILE . . . 84.79 -48.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.63 141.02 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.617 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -179.26 174.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -170.61 151.69 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -158.05 -63.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.371 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 t 62.4 120.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.03 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.682 HG12 ' N ' ' A' ' 65' ' ' ASN . 70.2 t -95.71 -105.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.682 ' N ' HG12 ' A' ' 64' ' ' VAL . 1.3 t-20 -49.93 -69.2 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.7 tp -173.82 92.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 m -78.81 169.22 18.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.63 127.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 pp -81.77 154.02 70.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 134.81 18.28 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -108.83 135.83 49.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.1 112.08 54.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -75.05 120.08 5.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 110.946 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -38.85 144.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 175.95 90.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.503 0.192 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tp 72.59 -75.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.6 mttm 49.01 95.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.873 ' O ' HD22 ' A' ' 5' ' ' LEU . 10.7 p-10 -173.03 106.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.873 HD22 ' O ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -147.26 136.79 22.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -141.69 58.5 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.434 ' CE ' ' HG3' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -73.87 -25.17 59.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER 60.0 62.28 1.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 1.3 m-20 155.94 63.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.434 ' HG3' ' CE ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -111.08 -0.45 16.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.333 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.99 HG21 ' O ' ' A' ' 54' ' ' GLU . 29.7 m -83.86 -47.91 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.427 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -61.13 -26.31 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.363 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -34.23 75.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -80.24 -25.89 39.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -82.17 -40.09 22.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.8 -18.22 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -75.38 -70.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' ALA . 72.2 t -50.81 -32.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -40.62 -51.97 2.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 21' ' ' ALA . 2.8 pp -46.43 -45.39 18.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -70.97 -65.63 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 64.73 123.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -177.62 67.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.506 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -115.55 55.25 0.55 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.044 ' HA ' HG21 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -122.87 -78.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.4 0.706 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.62 -46.27 79.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.584 ' CZ ' ' HA ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -89.94 32.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -165.63 27.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.776 ' HB2' HG11 ' A' ' 64' ' ' VAL . 5.9 mt-10 -35.08 -48.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 61.28 -69.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 47.9 p90 -110.26 32.32 5.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.434 1.084 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 19.2 t30 54.58 62.78 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.632 ' HG2' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -76.27 149.71 82.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.0 178.12 7.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 m -68.14 60.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.549 HG22 ' H ' ' A' ' 39' ' ' ALA . 56.9 mt -142.31 151.77 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.644 ' HA ' HG11 ' A' ' 25' ' ' VAL . . . -103.24 -26.52 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -83.14 1.68 39.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.549 ' H ' HG22 ' A' ' 36' ' ' ILE . . . -100.54 -41.36 7.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.044 HG21 ' HA ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -56.02 -37.43 48.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -84.05 -38.25 21.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -59.29 -32.39 70.0 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 2.5 mm-40 -94.42 -80.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.94 110.81 3.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.58 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.0 Cg_endo -74.99 80.04 2.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 45.7 tt0 -45.74 -25.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.787 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 47.6 p-80 -74.3 -21.55 59.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.607 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.787 ' CD2' ' CD2' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -77.82 -47.97 17.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 50' ' ' SER . 2.8 ptm180 -41.86 -35.12 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 0.9 OUTLIER -82.41 -40.13 21.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.566 1.166 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.3 m-90 -79.34 0.78 27.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 108.03 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.8 m-30 -114.32 -45.94 3.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.5 ttp180 -89.62 0.28 57.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.99 ' O ' HG21 ' A' ' 11' ' ' THR . 3.0 pt-20 -37.44 -31.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.5 tpp180 -71.7 84.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mt 62.72 82.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 tt -115.08 -37.95 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 109.38 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 60.6 60.04 2.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.22 173.02 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.64 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.74 -76.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 pp -165.46 -169.91 1.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' A' ' 63' ' ' SER . . . -133.58 -70.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 62' ' ' ALA . 4.0 t 78.76 76.14 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.618 1.199 . . . . 0.0 109.919 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 29' ' ' GLU . 86.9 t -97.99 -106.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.662 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -60.04 -49.36 77.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.37 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 0.6 OUTLIER 66.33 84.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 m -153.32 120.18 5.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.401 ' CD ' ' HD3' ' A' ' 70' ' ' PRO . 7.8 tmm_? -175.62 142.98 0.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -169.56 89.97 0.56 Allowed Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.401 ' HD3' ' CD ' ' A' ' 68' ' ' ARG . 18.5 Cg_endo -75.02 174.6 12.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -177.07 170.04 2.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 111.052 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.13 149.0 72.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -71.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -177.33 139.76 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.21 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 tp 73.76 120.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.493 0.187 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mt -116.85 144.86 44.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -56.66 167.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 179.63 144.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.204 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.88 165.04 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -169.64 85.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -172.48 -60.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 45.45 88.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -177.54 55.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -112.08 -18.97 12.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.721 HG21 ' O ' ' A' ' 54' ' ' GLU . 2.3 m -62.78 -28.19 69.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -80.26 -9.4 59.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -37.54 31.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -65.15 -34.96 79.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.613 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -79.71 -46.24 17.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -47.01 -32.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -68.14 -67.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' ALA . 46.9 t -55.37 -18.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' VAL . 39.9 t0 -38.42 -51.58 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mp -51.69 -48.9 63.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.354 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 22' ' ' ALA . . . -74.17 -89.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . 72.77 160.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.79 -170.91 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.478 ' C ' HG11 ' A' ' 40' ' ' VAL . . . -153.42 -84.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.968 HG13 HG21 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -106.77 -14.83 9.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.417 0.716 . . . . 0.0 109.292 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -36.71 -35.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.72 ' HA ' HG11 ' A' ' 64' ' ' VAL . 1.9 m-85 -57.83 -49.89 75.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' VAL . 17.3 tptt 76.1 2.98 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -121.12 -10.72 8.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.696 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -35.18 94.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 30' ' ' ARG . 43.9 p90 40.74 34.75 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 17.7 t-20 64.51 57.82 1.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . 1.071 ' CE ' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -78.48 140.24 59.91 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.55 ' N ' ' HG3' ' A' ' 33' ' ' MET . 18.4 Cg_endo -75.04 -174.07 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.37 57.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.59 HG22 ' HE1' ' A' ' 33' ' ' MET . 79.5 mt -146.58 155.22 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.476 ' HA ' HG21 ' A' ' 25' ' ' VAL . . . -117.28 -19.65 9.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.22 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 25.6 tt0 -76.44 -12.16 60.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.071 ' HB3' ' CE ' ' A' ' 33' ' ' MET . . . -101.71 -17.94 16.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.992 HG23 ' SD ' ' A' ' 33' ' ' MET . 0.9 OUTLIER -67.75 -29.87 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.43 -36.55 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.474 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 3.0 ptm180 -66.17 -32.86 74.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 6.0 mm-40 -85.47 -80.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -159.47 99.95 1.54 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.846 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.01 137.08 21.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 1.8 tm-20 -55.06 -52.17 64.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.663 ' NE2' HD22 ' A' ' 48' ' ' LEU . 11.1 p-80 -47.56 -22.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.649 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.846 HD23 ' HG2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -85.21 -66.51 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -50.5 -33.27 20.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -72.25 -45.37 60.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.613 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.2 m-90 -75.63 -6.23 49.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 107.983 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 1.3 m-85 -101.75 -42.38 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -89.17 -4.75 58.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.721 ' O ' HG21 ' A' ' 11' ' ' THR . 14.1 pt-20 -41.54 -40.22 1.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -45.96 -34.61 4.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.348 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -112.09 -73.93 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -39.19 -47.46 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.429 ' N ' ' CG2' ' A' ' 57' ' ' ILE . . . 39.45 62.71 1.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ALA . 33.6 t-80 39.3 85.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 109.683 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.55 ' O ' HD23 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -76.16 -31.84 58.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 60' ' ' ARG . 0.4 OUTLIER 167.19 179.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.43 1.081 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' A' ' 63' ' ' SER . . . -70.6 -59.61 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.373 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 62' ' ' ALA . 1.6 t 81.77 -60.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.72 HG11 ' HA ' ' A' ' 27' ' ' PHE . 93.6 t -97.97 -107.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.655 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -100.9 -70.84 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 40.88 62.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.99 175.76 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -176.45 114.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD13 ' HD2' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -138.32 112.99 8.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.401 ' HD2' HD13 ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.03 153.08 41.37 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -125.57 167.72 14.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.94 101.82 0.33 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.98 109.07 2.86 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' PRO . 21.7 tttp -39.06 -58.95 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.7 tp 57.67 97.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.51 0.195 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.78 112.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -179.03 -53.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -43.56 132.49 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.603 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 0.5 OUTLIER -175.75 142.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 5' ' ' LEU . . . 169.18 108.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.39 -63.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 45.89 91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 174.07 56.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -106.62 -9.54 16.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.717 HG21 ' O ' ' A' ' 54' ' ' GLU . 2.9 m -66.62 -54.49 22.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -60.97 -24.01 65.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -34.66 78.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -78.96 -26.98 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.548 ' HG3' ' CE3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -79.4 -53.59 6.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.175 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.1 -25.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 15' ' ' LYS . 4.8 t-20 -76.04 -59.61 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.374 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.865 HG13 ' HB3' ' A' ' 21' ' ' ALA . 36.6 t -65.01 -10.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -40.46 -29.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -82.7 -48.23 11.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.865 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -62.45 -19.91 64.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.674 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -39.53 -56.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 83.97 -72.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.564 ' O ' HG13 ' A' ' 40' ' ' VAL . . . 110.54 -35.14 4.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.922 HG13 HG21 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -112.75 -12.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . -34.14 -33.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' VAL . 46.6 m-85 -104.66 -43.54 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.848 ' HB3' HG12 ' A' ' 25' ' ' VAL . 0.1 OUTLIER 37.85 31.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -120.7 -38.85 2.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 110.251 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -33.72 -35.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.927 ' OH ' HG22 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -124.77 -9.14 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 32' ' ' ASN . 15.4 t30 58.26 65.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.591 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -99.26 166.87 12.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.158 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.08 -176.05 2.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 0.0 110.954 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 m -67.19 60.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.62 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -132.25 155.75 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 40' ' ' VAL . . . -109.11 -37.08 5.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.87 -13.03 20.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.397 1.06 . . . . 0.0 110.234 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.62 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -105.16 -1.72 25.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.927 HG22 ' OH ' ' A' ' 31' ' ' TYR . 0.9 OUTLIER -85.12 -39.43 14.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.42 -33.06 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -24.55 63.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 39' ' ' ALA . 65.1 mm-40 -83.0 -81.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.66 109.98 0.68 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.892 ' HB2' HD23 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.08 79.11 2.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -34.06 -33.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.628 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 8.7 p-80 -56.74 -13.06 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.62 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.892 HD23 ' HB2' ' A' ' 45' ' ' PRO . 2.7 mm? -80.51 -48.95 12.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 50' ' ' SER . 5.8 ptm180 -37.64 -32.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.5 m -91.35 -39.47 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CE3' ' HG3' ' A' ' 15' ' ' LYS . 1.1 m-90 -71.06 -12.25 61.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -105.43 -41.63 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -88.63 0.22 56.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.717 ' O ' HG21 ' A' ' 11' ' ' THR . 0.7 OUTLIER -39.39 -29.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.46 ' N ' ' OE2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -49.65 -26.4 3.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 110.344 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.82 79.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 tt -78.96 -17.05 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.03 97.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.516 ' CD2' ' NH1' ' A' ' 60' ' ' ARG . 9.2 t60 -165.58 -73.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.571 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.516 ' NH1' ' CD2' ' A' ' 59' ' ' HIS . 3.1 ptp85 179.77 -170.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.243 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.804 ' N ' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.14 -173.59 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.8 -70.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m 64.91 103.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.688 HG12 ' N ' ' A' ' 65' ' ' ASN . 65.7 t -126.88 -103.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.688 ' N ' HG12 ' A' ' 64' ' ' VAL . 30.9 t30 -46.16 -61.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.363 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.83 94.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.107 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -50.97 11.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.33 173.47 7.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.393 1.058 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.18 85.24 7.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.64 4.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -70.6 -177.3 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.2 152.49 43.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -74.94 177.23 8.85 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.533 1.807 . . . . 0.0 111.068 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 1.1 mtpt 165.7 165.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 73.95 118.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 13' ' ' MET . 4.3 tt0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -52.91 -27.82 20.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 54' ' ' GLU . 9.5 tt0 -65.86 -28.06 68.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.435 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -59.99 -32.37 70.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 13' ' ' MET . 18.2 t0 -85.7 -26.05 26.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.595 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.4 -39.53 28.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.82 -14.8 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.596 HD22 ' N ' ' A' ' 18' ' ' VAL . 1.4 t30 -84.01 -63.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.596 ' N ' HD22 ' A' ' 17' ' ' ASN . 20.4 t -63.77 -13.73 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.52 -29.01 58.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -84.93 -27.56 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.418 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -57.35 -78.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.82 163.47 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.07 -1.29 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.33 42.64 1.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 111.05 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.066 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -117.55 -79.0 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.18 -33.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -60.82 2.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.482 ' CG ' ' HG3' ' A' ' 46' ' ' GLU . 22.2 ptmt -177.43 118.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -33.75 -37.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 71.96 -61.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 47.1 p90 -117.2 23.81 11.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.432 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 17.8 t-20 63.75 64.05 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.79 146.95 73.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 -176.38 2.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.1 t -67.53 57.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.536 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -149.14 156.12 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.43 -31.99 6.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.08 -13.19 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.536 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -97.01 -22.92 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.066 ' CG2' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -67.94 -33.45 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.74 -37.93 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -65.6 -30.41 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 10.8 mm-40 -90.73 -78.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.162 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.48 101.25 2.04 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.247 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.597 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.99 131.07 13.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -59.14 -55.86 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.68 ' NE2' HD22 ' A' ' 48' ' ' LEU . 34.6 p-80 -42.78 -47.9 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.576 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.68 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -45.12 -29.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.3 ptm180 -58.37 -39.58 79.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.551 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -101.93 -28.34 12.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.595 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -70.5 -25.87 63.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 26.4 t80 -102.19 -37.42 8.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -92.82 1.4 57.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.6 OUTLIER -33.41 -37.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' ARG . 15.0 mmt85 -39.44 -31.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.448 ' O ' ' CD ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -174.06 69.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.551 HD12 ' HB3' ' A' ' 50' ' ' SER . 12.8 tt . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 28' ' ' LYS . 6.8 t -128.49 -44.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.623 HG22 ' HB2' ' A' ' 54' ' ' GLU . 2.1 m -61.0 -37.06 81.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' A' ' 54' ' ' GLU . 14.2 tt0 -66.37 -27.36 67.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttt -61.41 -37.67 84.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.77 -26.0 40.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.581 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.0 -39.25 30.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.63 -14.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.689 HD22 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -85.35 -62.84 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.372 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.689 ' N ' HD22 ' A' ' 17' ' ' ASN . 91.9 t -64.98 -11.69 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 4.1 p-10 -44.39 -45.0 8.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 20' ' ' LEU . 3.1 tt -57.39 -39.82 76.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -41.04 -51.65 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.43 -152.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.65 125.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -160.79 52.82 0.34 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.573 1.171 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.036 HG13 HG21 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -118.51 -36.37 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 0.726 . . . . 0.0 109.363 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' O ' ' CB ' ' A' ' 65' ' ' ASN . . . -38.5 -34.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.67 70.39 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -146.25 18.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 33' ' ' MET . 1.7 pm0 -79.25 1.18 25.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.85 -34.98 9.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.618 ' CE1' ' HB3' ' A' ' 33' ' ' MET . 12.6 p90 -99.41 27.37 5.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.405 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 15.0 t-20 57.34 63.54 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.618 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.84 134.06 61.13 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.07 176.45 9.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 35' ' ' VAL . 14.2 p -69.08 56.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.607 HG22 ' H ' ' A' ' 39' ' ' ALA . 58.7 mt -145.1 161.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -104.18 -32.03 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -64.75 -47.77 77.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.607 ' H ' HG22 ' A' ' 36' ' ' ILE . . . -58.01 -22.16 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.036 HG21 HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -75.0 -32.53 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.08 -37.54 15.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.401 1.063 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 2.0 ptm180 -68.0 -36.05 79.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.447 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 3.2 mm-40 -82.88 -72.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.42 109.58 2.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.593 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.3 Cg_endo -74.96 132.92 16.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.593 ' O ' ' N ' ' A' ' 49' ' ' ARG . 3.1 tp10 -57.45 -66.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.689 ' NE2' HD22 ' A' ' 48' ' ' LEU . 41.3 p-80 -36.19 -54.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.552 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.689 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -38.5 -33.17 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.593 ' N ' ' O ' ' A' ' 46' ' ' GLU . 7.0 ptm180 -50.9 -44.35 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 30.6 t -99.26 -29.56 12.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.581 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.5 m-90 -68.76 -22.1 64.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.005 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 25.1 t80 -98.15 -45.88 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.7 ttp180 -86.92 3.13 46.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.623 ' HB2' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -34.42 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.2 ttm180 -79.31 108.72 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.1 mt 66.39 63.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.427 HD12 ' HB3' ' A' ' 53' ' ' ARG . 2.1 tp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 65' ' ' ASN . 74.7 t -113.55 -99.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.544 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.427 ' CG2' ' CG ' ' A' ' 54' ' ' GLU . 1.8 m -74.09 -63.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -54.09 -22.51 11.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -33.85 76.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.069 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.44 -28.88 62.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -85.98 -41.1 15.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.388 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.75 -16.22 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.609 HD22 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -81.65 -58.51 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.609 ' N ' HD22 ' A' ' 17' ' ' ASN . 28.3 t -67.25 -9.81 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -55.93 -19.07 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -92.26 -18.73 23.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -39.06 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.569 1.168 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.26 -163.05 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -163.87 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -121.54 53.67 0.7 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.059 HG13 HG21 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -118.3 -39.54 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.395 0.703 . . . . 0.0 109.347 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -38.27 -43.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.762 ' CD1' HG21 ' A' ' 64' ' ' VAL . 1.3 t80 -135.69 61.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.528 ' CD ' ' O ' ' A' ' 44' ' ' GLN . 1.3 tpmp? -145.77 23.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.488 ' HA ' ' CG ' ' A' ' 33' ' ' MET . 0.1 OUTLIER -87.11 1.77 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -52.52 -42.59 64.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 110.22 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 31' ' ' TYR . 9.6 p90 -88.74 25.08 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.2 t30 59.81 63.37 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.629 ' SD ' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -79.36 125.6 82.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -75.01 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 m -67.2 58.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.6 OUTLIER -145.38 164.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.45 ' N ' HG23 ' A' ' 36' ' ' ILE . . . -120.24 -32.45 4.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.45 -11.31 57.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -100.21 -21.8 15.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.093 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.059 HG21 HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -68.78 -34.37 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.474 ' CG ' ' HG3' ' A' ' 45' ' ' PRO . 2.0 tt0 -86.4 -38.3 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -59.79 -34.46 73.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -90.62 -77.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.235 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.528 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 1.1 tt0 -161.14 99.99 1.27 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.648 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.02 134.59 17.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -58.46 -63.76 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.246 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.645 ' NE2' HD22 ' A' ' 48' ' ' LEU . 27.5 p-80 -37.93 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.648 HD23 ' HG2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -70.65 -55.08 9.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 2.6 ptm180 -44.9 -36.95 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.3 m -85.3 -35.59 21.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.596 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -71.66 -7.91 50.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -108.2 -36.77 6.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.7 ttp180 -98.82 1.06 45.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -37.81 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -71.48 71.89 0.69 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 tt 71.63 104.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.762 HG21 ' CD1' ' A' ' 27' ' ' PHE . 92.1 t -87.62 -107.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.644 ' N ' HG12 ' A' ' 64' ' ' VAL . 7.7 t-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.467 ' CG2' ' CD ' ' A' ' 54' ' ' GLU . 2.1 m -60.81 -50.14 74.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.401 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 18.2 tt0 -69.47 -16.92 63.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -36.27 68.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -69.24 -30.12 68.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.587 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -84.07 -37.15 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER -64.04 -12.42 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.713 HD22 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -86.95 -63.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.713 ' N ' HD22 ' A' ' 17' ' ' ASN . 65.9 t -54.59 -19.99 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -57.36 -25.31 59.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -20.28 27.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -63.8 -68.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.24 -166.31 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.64 -144.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.467 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -124.04 50.47 0.85 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.017 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -120.92 -80.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.372 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.25 -22.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.98 -58.47 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 30' ' ' ARG . 5.9 tttt -176.1 111.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -33.64 -34.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 68.27 -60.25 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 46.7 p90 -119.27 25.96 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.425 ' CA ' ' HB2' ' A' ' 29' ' ' GLU . 18.2 t30 62.94 62.94 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.553 ' SD ' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -76.88 142.83 69.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.51 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.05 -175.91 2.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.416 ' O ' HG12 ' A' ' 35' ' ' VAL . 46.2 t -66.75 57.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.523 HG22 ' HB3' ' A' ' 39' ' ' ALA . 1.1 mt -148.78 154.74 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.18 -30.88 6.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -67.19 -13.09 61.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.523 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -98.71 -22.68 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.017 ' CG2' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -68.44 -32.14 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.2 -38.67 14.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -65.66 -31.02 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 3.6 mm-40 -88.73 -78.1 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 110.27 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.23 98.16 2.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.622 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.1 131.75 14.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' ARG . 1.5 tt0 -59.02 -56.21 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.683 ' NE2' HD22 ' A' ' 48' ' ' LEU . 34.1 p-80 -42.71 -47.52 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.55 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.683 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -46.25 -26.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 4.7 ptm180 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 36.8 m -103.65 -28.25 11.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.587 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -69.84 -21.91 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 13.6 t80 -108.79 -37.17 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.903 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -94.86 2.36 55.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -33.53 -36.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -54.41 88.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' GLU . 2.0 mp 52.96 92.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.903 HD12 ' HB3' ' A' ' 53' ' ' ARG . 6.9 tt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.639 HG12 ' N ' ' A' ' 65' ' ' ASN . 97.5 t -89.06 -108.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.639 ' N ' HG12 ' A' ' 64' ' ' VAL . 5.4 t-20 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.461 ' CG2' ' HG2' ' A' ' 54' ' ' GLU . 2.1 m -63.66 -51.34 65.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 13.1 tt0 -62.65 -15.54 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.3 ttp -74.22 -34.1 63.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 15' ' ' LYS . 34.0 t0 -70.68 -29.98 66.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.376 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -82.84 -52.2 6.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.087 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 1.2 t -42.87 -33.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -66.62 -68.87 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 82.2 t -47.21 -25.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.79 -30.38 22.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.99 -24.51 32.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -54.28 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.692 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 178.59 -149.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.824 ' HB1' ' OE2' ' A' ' 46' ' ' GLU . . . 85.04 132.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.466 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . 172.56 -60.02 0.15 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.717 HG13 HG21 ' A' ' 40' ' ' VAL . 6.4 t -113.04 -27.43 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.598 0.823 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -35.48 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.546 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 33.2 m-85 -113.46 119.13 36.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 10.0 tppt? 160.11 -25.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.2 OUTLIER -42.61 -21.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.49 ' N ' ' C ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -44.68 -24.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.769 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -87.22 21.36 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 111.034 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 29' ' ' GLU . 13.9 t-20 65.25 63.05 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.555 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -80.68 120.26 78.57 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.485 ' O ' ' CE ' ' A' ' 33' ' ' MET . 18.4 Cg_endo -75.04 -179.15 4.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.029 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.1 p -68.35 56.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.504 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -149.21 156.97 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -114.57 -33.92 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.4 -15.1 56.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.504 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -89.76 -21.02 22.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.717 HG21 HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -63.97 -41.36 92.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -37.61 20.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -65.11 -34.18 77.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 31.1 mm-40 -80.86 -77.47 0.2 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.68 110.05 1.81 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.529 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.5 Cg_endo -74.93 131.46 14.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.824 ' OE2' ' HB1' ' A' ' 23' ' ' ALA . 2.0 pp20? -58.69 -51.13 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.617 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 23.1 p-80 -45.68 -45.05 13.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.606 1.191 . . . . 0.0 109.618 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.617 ' CD2' ' NE2' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -51.38 -26.51 7.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.395 1.06 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 46' ' ' GLU . 0.1 OUTLIER -59.56 -39.87 85.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 2.8 m -103.88 -27.08 12.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.597 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -70.66 -20.79 62.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 27.2 t80 -107.77 -41.48 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -91.8 2.47 56.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -33.12 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ARG . 3.0 mtp180 -39.1 -54.74 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.17 80.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.4 tt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 65' ' ' ASN . 78.5 t -124.72 -106.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.651 ' N ' HG12 ' A' ' 64' ' ' VAL . 2.8 t-20 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.769 HG22 ' NZ ' ' A' ' 15' ' ' LYS . 2.9 m -64.01 -37.0 85.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -57.46 -27.87 62.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.247 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -34.19 74.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -81.96 -26.13 34.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.769 ' NZ ' HG22 ' A' ' 11' ' ' THR . 0.2 OUTLIER -81.32 -39.92 24.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.56 -19.34 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 19' ' ' ASP . 2.9 t-20 -80.89 -69.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 24.9 t -48.55 -23.17 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -51.53 -35.33 40.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -22.8 67.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.649 ' O ' ' HB3' ' A' ' 22' ' ' ALA . . . -60.86 -55.77 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . 80.54 179.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.57 119.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.49 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -130.96 57.43 0.73 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.057 HG22 HG21 ' A' ' 40' ' ' VAL . 1.7 t -117.69 -55.49 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.394 0.703 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -40.0 -43.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.559 ' CD1' ' OE1' ' A' ' 46' ' ' GLU . 2.2 m-85 -37.85 -74.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' CB ' HG21 ' A' ' 64' ' ' VAL . 6.8 tttp -168.06 99.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.7 OUTLIER -42.08 -46.59 4.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.52 -63.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.65 ' OH ' HG22 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -78.37 -11.71 59.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 20.9 t-20 62.55 62.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -90.59 170.35 10.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.98 179.96 5.57 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.464 1.77 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 35' ' ' VAL . 95.5 t -67.01 58.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.614 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -133.54 154.62 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.87 -39.24 6.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -57.95 -16.1 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.614 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -103.1 0.22 31.61 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.057 HG21 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -91.17 -39.35 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.88 -35.96 28.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -60.34 -36.3 77.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' ' CE ' ' A' ' 33' ' ' MET . 75.7 mm-40 -81.28 -79.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.0 115.43 2.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.605 ' HB2' HD23 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.98 78.07 2.97 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.481 1.78 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.559 ' OE1' ' CD1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -47.1 -23.97 0.59 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.743 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 50.6 p-80 -74.31 -27.58 60.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.743 ' CD2' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -67.36 -31.36 71.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.466 ' CG ' ' N ' ' A' ' 50' ' ' SER . 4.3 ptm180 -49.52 -39.9 35.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.466 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.2 m -81.92 -34.14 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.592 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.4 m-90 -79.93 0.24 32.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 108.032 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.0 m-30 -111.79 -39.42 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -98.77 1.11 45.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.752 ' O ' HG21 ' A' ' 11' ' ' THR . 0.6 OUTLIER -36.09 -33.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -65.13 89.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.52 52.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 tt . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 p . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.019 -0.364 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.671 HG12 ' N ' ' A' ' 65' ' ' ASN . 69.6 t -68.23 -105.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.671 ' N ' HG12 ' A' ' 64' ' ' VAL . 12.3 m120 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.418 HG22 ' HG3' ' A' ' 54' ' ' GLU . 3.3 m -66.42 -53.98 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 15.8 tt0 -57.69 -22.51 46.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.62 -33.87 76.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.043 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.46 -28.55 61.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -83.21 -52.19 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -47.15 -23.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.704 HD22 ' N ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -72.86 -62.32 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.704 ' N ' HD22 ' A' ' 17' ' ' ASN . 92.1 t -61.7 -14.56 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.412 ' OD1' ' NE1' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -59.25 -15.42 15.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.93 -16.32 21.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.44 -99.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.33 178.21 4.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.57 -93.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.53 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . 172.94 55.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.828 ' HA ' HG21 ' A' ' 40' ' ' VAL . 1.4 t -114.15 -37.36 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.529 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -65.43 -11.83 46.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.576 ' HA ' HG11 ' A' ' 64' ' ' VAL . 2.8 m-85 -132.66 152.24 51.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.173 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.0 OUTLIER 89.08 -16.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.388 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -37.71 -28.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -49.35 -23.15 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.698 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -82.0 8.51 10.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 13.0 t-20 73.83 62.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.617 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -89.19 122.89 68.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.96 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.439 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.06 175.73 10.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.395 1.734 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.2 t -69.09 54.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.572 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -145.8 158.03 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.492 1.12 . . . . 0.0 109.215 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.98 -34.53 6.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.59 -12.14 42.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.572 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -99.67 -19.88 16.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.828 HG21 ' HA ' ' A' ' 25' ' ' VAL . 1.0 OUTLIER -72.95 -38.72 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.99 -38.69 31.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' C ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -63.62 -29.81 71.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 15.5 mm-40 -87.02 -78.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -160.14 102.52 1.4 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.738 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.03 130.69 13.47 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -58.91 -46.66 87.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.701 ' NE2' HD22 ' A' ' 48' ' ' LEU . 16.6 p-80 -50.1 -37.31 33.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.738 HD23 ' HG2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -59.6 -23.15 62.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -62.98 -38.38 90.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.9 t -102.3 -28.61 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.068 . . . . 0.0 109.964 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.551 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -69.7 -28.09 65.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 107.995 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.511 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 23.8 t80 -100.11 -39.55 8.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -90.34 2.45 55.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' SER . 1.8 pm0 -35.42 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 53' ' ' ARG . 4.3 ttt85 -69.22 62.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 79.15 106.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.0 tt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 27' ' ' PHE . 73.9 t -82.21 -97.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.541 ' N ' HG12 ' A' ' 64' ' ' VAL . 8.2 p30 . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.555 HG21 ' CD ' ' A' ' 54' ' ' GLU . 2.3 m -66.69 -53.71 30.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -60.14 -24.29 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 35.5 ttm -63.85 -35.06 79.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -76.67 -26.47 54.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.583 ' HG3' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -84.94 -37.85 20.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.355 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -14.72 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -79.59 -68.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 21.4 t -59.19 -14.36 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.72 -32.18 18.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -26.57 62.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.703 ' O ' ' HB3' ' A' ' 22' ' ' ALA . . . -42.86 -72.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.227 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . 84.69 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 73.91 108.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.48 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -154.75 60.86 0.38 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.017 HG22 HG21 ' A' ' 40' ' ' VAL . 1.4 t -119.18 -64.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.72 -25.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.705 ' CE1' ' CB ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -72.74 -42.76 63.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.952 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.582 ' N ' ' CD1' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -177.33 130.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 0.0 109.347 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -103.72 -45.46 4.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.11 -70.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 110.285 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.68 ' OH ' HG22 ' A' ' 40' ' ' VAL . 1.1 p90 -62.42 -15.49 49.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 20.5 t30 62.06 62.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.491 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -86.52 168.88 16.78 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.05 -176.72 3.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.9 t -66.53 59.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.63 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -135.72 155.76 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.373 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.2 -40.88 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.42 -17.68 8.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.63 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -98.05 -13.98 20.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.017 HG21 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -75.92 -41.75 39.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.402 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CG ' ' HB3' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -76.01 -40.26 54.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -39.23 77.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.639 ' CB ' ' CD2' ' A' ' 31' ' ' TYR . 11.0 mm-40 -82.68 -67.71 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -151.92 102.41 2.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.246 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.672 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -75.05 129.72 12.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.705 ' CB ' ' CE1' ' A' ' 27' ' ' PHE . 2.3 pm0 -61.42 -42.16 98.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.648 ' NE2' HD22 ' A' ' 48' ' ' LEU . 25.4 p-80 -54.61 -36.72 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.56 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 45' ' ' PRO . 1.1 mm? -58.8 -22.63 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 3.6 ptm180 -62.38 -40.02 95.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 67.1 m -103.48 -27.74 12.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.583 ' CD2' ' HG3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -69.69 -24.08 63.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 8.3 t80 -106.37 -38.15 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.5 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.7 OUTLIER -92.57 1.35 57.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.555 ' CD ' HG21 ' A' ' 11' ' ' THR . 0.0 OUTLIER -34.35 -35.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -48.97 -70.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.56 97.14 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.3 tt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 109.326 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.8 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.655 HG12 ' N ' ' A' ' 65' ' ' ASN . 88.1 t -83.62 -106.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.655 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 m -63.02 -46.48 87.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 17.0 tt0 -61.85 -18.81 61.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -34.68 73.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.353 1.033 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.46 -29.32 61.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -79.16 -51.77 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -49.14 -22.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.559 HD22 ' N ' ' A' ' 18' ' ' VAL . 1.5 t30 -77.8 -63.55 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.568 HG13 ' CB ' ' A' ' 21' ' ' ALA . 88.8 t -56.0 -18.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -48.26 -24.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.79 -27.68 13.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -40.13 -67.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.15 -175.48 4.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.04 -169.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.563 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -127.58 53.34 0.8 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.13 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.984 ' HA ' HG21 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -116.92 -24.47 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.56 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.625 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -102.32 108.26 19.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.625 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER 154.23 -22.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -47.97 -16.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' C ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -43.99 -24.74 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.741 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -88.0 20.43 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 29' ' ' GLU . 17.7 t30 65.86 64.48 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.669 ' CE ' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -77.99 132.09 68.3 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.468 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 18.3 Cg_endo -74.96 176.41 9.94 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 35' ' ' VAL . 98.2 t -72.33 48.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.062 . . . . 0.0 109.315 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 37' ' ' ALA . 81.6 mt -146.84 165.25 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.494 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -105.66 -34.55 7.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 36' ' ' ILE . 15.7 tt0 -63.14 -18.26 63.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -80.56 -25.14 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.984 HG21 ' HA ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -71.15 -40.0 74.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.67 -37.02 19.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 38' ' ' GLU . 10.9 ttt-85 -66.3 -25.75 66.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -97.23 -77.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.29 102.16 2.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.568 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.5 Cg_endo -75.01 131.14 13.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -59.12 -55.42 35.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.352 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.641 ' NE2' HD22 ' A' ' 48' ' ' LEU . 33.3 p-80 -43.2 -46.28 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.591 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.641 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -47.35 -28.36 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.235 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.5 ptm180 -57.29 -41.14 79.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.5 p -100.85 -28.77 12.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.576 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -69.35 -30.26 68.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 34.7 t80 -94.71 -43.03 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -87.17 2.04 51.16 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -33.13 -37.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' ARG . 16.4 mtt180 -40.47 -40.13 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tp -133.2 84.83 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.45 ' CG1' ' OE2' ' A' ' 29' ' ' GLU . 16.1 t -113.37 -9.61 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.8 m -63.65 -50.25 70.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.484 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.72 -27.17 67.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -34.18 76.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.08 -25.05 40.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -82.89 -55.72 4.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -42.61 -33.58 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -59.41 -68.93 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.6 t -51.55 -36.43 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.223 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -17.39 10.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.38 -19.65 45.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.684 ' O ' ' HB2' ' A' ' 22' ' ' ALA . . . -73.57 -102.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 21' ' ' ALA . . . 162.84 -165.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 63.61 144.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.63 ' O ' HG11 ' A' ' 40' ' ' VAL . . . 173.1 49.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.169 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -111.14 -75.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.563 0.802 . . . . 0.0 109.366 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.442 ' O ' HG21 ' A' ' 64' ' ' VAL . . . -42.81 -53.84 4.41 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' ALA . 79.1 m-85 -36.37 -48.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 4.9 tttt -146.6 67.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.226 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.659 ' OE2' HG12 ' A' ' 25' ' ' VAL . 1.5 mm-40 -66.06 -41.08 91.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.435 ' C ' ' N ' ' A' ' 32' ' ' ASN . 0.2 OUTLIER 37.7 -89.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.586 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.1 p90 -47.09 -19.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 30' ' ' ARG . 19.6 t-20 65.25 60.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.757 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 2.8 mmt -82.96 164.71 45.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.611 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 -177.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.39 63.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.611 ' N ' ' O ' ' A' ' 34' ' ' PRO . 1.0 OUTLIER -138.76 154.62 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' VAL . . . -107.38 -48.25 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -44.77 -42.19 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.757 ' HB1' ' SD ' ' A' ' 33' ' ' MET . . . -72.28 -34.17 68.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.169 ' CG2' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -57.64 -40.71 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.26 -37.37 53.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -43.09 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.237 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 3.0 mm-40 -81.64 -76.39 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -158.68 116.17 1.7 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.623 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.5 Cg_endo -74.92 129.59 12.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.562 1.822 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.9 OUTLIER -58.29 -58.51 8.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.672 ' NE2' HD22 ' A' ' 48' ' ' LEU . 41.2 p-80 -41.15 -50.77 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.564 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.672 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -41.93 -29.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.523 ' CG ' ' N ' ' A' ' 50' ' ' SER . 5.1 ptm180 -57.68 -44.01 85.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.523 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.1 m -101.15 -27.26 13.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.987 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -68.63 -29.65 68.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 9.4 t80 -96.57 -43.17 7.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -86.19 1.36 51.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.481 ' HA ' ' CG2' ' A' ' 57' ' ' ILE . 3.0 pt-20 -33.82 -36.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.9 ttt180 -49.11 -58.61 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.25 66.21 1.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.481 ' CG2' ' HA ' ' A' ' 54' ' ' GLU . 20.5 pt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.533 HG12 ' N ' ' A' ' 65' ' ' ASN . 80.1 t -150.43 -99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.533 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.469 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 54' ' ' GLU . 2.0 m -109.91 -43.5 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.454 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -78.65 -9.09 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -33.84 27.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.516 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.1 t70 -69.03 -33.27 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -81.28 -40.15 24.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.95 -16.27 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.409 ' C ' ' ND2' ' A' ' 17' ' ' ASN . 1.1 t30 -90.85 -51.21 5.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.792 HG13 ' HB3' ' A' ' 21' ' ' ALA . 42.0 t -61.84 -14.13 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' VAL . 1.3 t70 -38.42 -31.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -91.22 -46.71 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.182 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.792 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -61.7 -13.84 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -38.47 141.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.43 -155.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' C ' HG11 ' A' ' 40' ' ' VAL . . . -146.81 -82.37 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.041 HG22 HG21 ' A' ' 40' ' ' VAL . 1.8 t -110.78 -20.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.57 0.806 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -35.99 -57.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -124.15 48.81 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.56 ' O ' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -141.79 40.21 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.7 OUTLIER -86.03 1.68 49.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' C ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -35.45 -85.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.667 ' OH ' HG22 ' A' ' 40' ' ' VAL . 1.2 p90 -46.17 -20.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' GLU . 19.4 t30 63.78 61.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.43 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -84.07 173.13 7.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.01 -178.02 3.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.7 59.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.572 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -135.73 154.23 34.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.22 -36.71 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.57 -16.62 26.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.572 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -100.52 -4.63 28.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.041 HG21 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -84.56 -37.16 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.4 -37.01 22.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.518 ' C ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -64.98 -33.74 76.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.58 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 54.3 mm-40 -74.82 -78.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -161.04 97.84 1.33 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.82 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.06 132.48 15.39 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.529 1.805 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -59.18 -37.44 77.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.663 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 10.4 p-80 -60.5 -18.92 55.02 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.925 HD12 ' CE2' ' A' ' 52' ' ' PHE . 1.2 mm? -86.16 -60.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -54.87 -31.38 59.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 49' ' ' ARG . 2.0 t -77.92 -38.08 46.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.634 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.2 m-90 -81.49 -2.89 51.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 107.982 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.925 ' CE2' HD12 ' A' ' 48' ' ' LEU . 1.1 m-85 -110.02 -44.6 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -90.9 0.47 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.48 ' HG2' ' CG2' ' A' ' 11' ' ' THR . 6.8 pm0 -36.52 -33.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 53' ' ' ARG . 34.9 mtm-85 -53.01 -53.98 42.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -119.77 65.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.327 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 tp . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.654 HG12 ' N ' ' A' ' 65' ' ' ASN . 82.4 t -125.88 -106.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.654 ' N ' HG12 ' A' ' 64' ' ' VAL . 6.0 m-20 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.412 ' O ' ' CG ' ' A' ' 13' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.52 ' CG2' ' CD ' ' A' ' 54' ' ' GLU . 6.4 m -59.47 -43.03 93.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 15.0 tt0 -73.0 -8.15 54.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -83.8 -26.09 29.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 13' ' ' MET . 39.6 t0 -79.07 -29.75 43.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.633 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.15 -57.14 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -38.03 -36.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 19' ' ' ASP . 5.2 t-20 -63.14 -68.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.628 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 49.1 t -45.1 -27.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 17' ' ' ASN . 3.0 t70 -53.01 -42.71 65.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.34 -22.88 61.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -63.05 -72.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.609 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . 171.78 136.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 22' ' ' ALA . . . 169.22 82.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.477 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -142.21 -79.46 0.05 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.885 HG13 HG21 ' A' ' 40' ' ' VAL . 2.1 t -109.12 -20.81 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.57 -29.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.642 ' CE1' HG23 ' A' ' 64' ' ' VAL . 57.3 t80 -140.69 174.58 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.552 ' N ' ' CD2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER 88.44 -24.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.7 ' CD ' HG11 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -37.99 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -49.08 -22.29 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.757 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -85.75 15.8 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.471 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 12.9 t-20 65.34 63.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.616 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.22 123.65 72.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.432 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.02 177.01 9.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.0 m -68.53 55.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.579 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -145.37 158.13 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.8 -37.18 5.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 0.0 109.237 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.76 -13.34 22.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.579 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -99.07 -18.41 17.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.885 HG21 HG13 ' A' ' 25' ' ' VAL . 1.2 t -71.58 -38.02 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.65 -36.32 18.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 110.343 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.9 ttp85 -67.9 -32.04 72.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -80.7 -75.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.349 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.37 108.06 5.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.945 ' HB2' HD23 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -75.06 79.57 2.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -28.17 -58.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.662 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 34.9 p-80 -45.78 -49.29 15.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.62 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.945 HD23 ' HB2' ' A' ' 45' ' ' PRO . 3.5 mm? -45.4 -29.88 1.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.525 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -55.12 -40.71 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 49.9 m -104.61 -25.86 12.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.633 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -73.62 -24.5 60.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 108.061 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 14.9 t80 -105.47 -39.34 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -90.95 1.3 57.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.52 ' CD ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -33.56 -36.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 53' ' ' ARG . 42.8 mtt180 -42.53 -64.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -142.72 78.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.7 HG11 ' CD ' ' A' ' 29' ' ' GLU . 74.6 t -76.02 -101.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.246 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.582 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.424 HG22 ' HB2' ' A' ' 54' ' ' GLU . 88.7 m -67.7 -52.27 39.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.452 ' CB ' ' OE1' ' A' ' 54' ' ' GLU . 9.8 tt0 -57.33 -28.73 63.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -34.66 73.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -83.84 -25.87 29.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.595 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.18 -39.85 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.7 -14.74 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.69 HD22 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -87.89 -62.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.69 ' N ' HD22 ' A' ' 17' ' ' ASN . 25.1 t -59.52 -15.23 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -55.35 -18.38 6.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -105.03 -21.19 13.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.243 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -39.33 -89.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.52 -166.36 1.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.107 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.7 -101.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -176.83 50.28 0.11 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.903 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -116.07 -72.42 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.439 0.729 . . . . 0.0 109.222 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.05 -42.42 6.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -57.11 -37.37 71.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' VAL . 3.2 tptt -178.65 124.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.592 ' O ' ' CG ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -104.62 -46.14 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.08 -79.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.656 ' CD2' ' CB ' ' A' ' 43' ' ' GLU . 1.4 p90 -53.16 -17.35 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 62.05 61.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.765 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 3.0 mmt -84.47 164.65 42.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.593 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.95 -177.76 3.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.591 ' O ' HG23 ' A' ' 35' ' ' VAL . 32.2 m -61.71 69.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.623 ' CG2' ' H ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -145.78 156.2 12.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.431 ' O ' ' HB ' ' A' ' 40' ' ' VAL . . . -109.84 -40.1 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -49.55 69.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.765 ' HB1' ' SD ' ' A' ' 33' ' ' MET . . . -66.49 -25.15 66.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.903 ' CG2' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -67.93 -41.16 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.441 ' CG ' ' HG3' ' A' ' 45' ' ' PRO . 0.9 OUTLIER -74.42 -35.54 63.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.233 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -58.97 -36.22 74.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.656 ' CB ' ' CD2' ' A' ' 31' ' ' TYR . 19.9 mm-40 -81.83 -80.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.99 97.76 0.75 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.598 1.186 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.624 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.6 Cg_endo -74.88 130.7 13.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 4.4 tm-20 -61.78 -41.83 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.692 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 30.7 p-80 -58.22 -15.82 11.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.613 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.624 HD23 ' HG2' ' A' ' 45' ' ' PRO . 2.3 mm? -87.88 -54.88 4.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.0 ptm180 -47.43 -36.54 10.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' GLU . 2.9 t -82.16 -37.49 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.692 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.0 OUTLIER -72.89 -12.02 60.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 108.021 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -98.8 -36.18 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -99.18 -0.93 40.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -47.74 -64.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER 34.54 -94.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 54' ' ' GLU . 1.4 tp -144.7 48.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.0 tt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.4 t -104.84 -10.46 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.368 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.493 HG21 ' O ' ' A' ' 54' ' ' GLU . 25.9 m -53.68 -23.62 12.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -72.67 -26.76 61.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.0 ttp -61.84 -40.22 94.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.36 -27.31 59.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.583 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -79.61 -45.47 19.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -50.52 -22.84 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 19' ' ' ASP . 1.8 t-20 -85.52 -72.06 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.49 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 52.6 t -44.44 -26.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.42 ' N ' ' C ' ' A' ' 17' ' ' ASN . 3.4 t70 -39.73 -61.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 21' ' ' ALA . 3.9 pp -69.5 -44.07 71.83 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . . . -34.06 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.82 166.56 10.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.95 -88.53 0.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . 165.29 42.6 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.004 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -118.8 -37.1 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -36.86 -51.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.595 ' CZ ' ' CD ' ' A' ' 46' ' ' GLU . 7.6 p90 -131.61 59.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -139.91 25.01 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.667 ' OE1' HG11 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -96.22 0.92 51.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -58.58 -26.45 63.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.602 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 6.2 p90 -99.65 21.65 12.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.432 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 16.2 t-20 63.65 62.48 0.92 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.22 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.599 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.82 134.37 60.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.424 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.03 172.69 15.87 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 35' ' ' VAL . 54.7 t -70.42 54.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 39' ' ' ALA . 71.3 mt -145.02 158.53 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.94 -39.08 9.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -61.24 -48.01 83.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 110.259 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.63 ' H ' HG22 ' A' ' 36' ' ' ILE . . . -55.25 -24.85 30.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 109.378 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.004 ' CG2' HG13 ' A' ' 25' ' ' VAL . 1.1 t -75.45 -32.42 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' A' ' 45' ' ' PRO . 3.5 mt-10 -88.26 -36.28 16.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 2.4 ptm180 -63.15 -29.7 71.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.591 ' OE1' ' CD1' ' A' ' 31' ' ' TYR . 2.6 mm-40 -88.01 -81.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.72 94.54 1.67 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.67 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.01 131.32 14.15 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.595 ' CD ' ' CZ ' ' A' ' 27' ' ' PHE . 2.4 pp20? -61.87 -39.94 93.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.709 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 16.1 p-80 -59.68 -15.23 18.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.574 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.67 HD23 ' HG2' ' A' ' 45' ' ' PRO . 2.0 mm? -87.77 -47.96 8.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.7 ptm180 -51.54 -36.97 47.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 2.7 m -83.95 -34.41 24.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.709 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.0 OUTLIER -73.67 -9.87 59.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 108.058 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 1.5 m-85 -103.96 -38.19 7.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.0 ttp180 -97.68 1.0 48.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.493 ' O ' HG21 ' A' ' 11' ' ' THR . 5.4 pt-20 -36.37 -33.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ARG . 7.2 ttp180 -44.09 -52.15 7.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.347 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -164.52 79.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.2 tt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.667 HG11 ' OE1' ' A' ' 29' ' ' GLU . 77.2 t -131.54 -104.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.631 ' N ' HG12 ' A' ' 64' ' ' VAL . 1.8 p-10 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.678 HG22 ' OE1' ' A' ' 54' ' ' GLU . 2.1 m -70.5 -62.42 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -58.85 -22.43 58.94 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -35.46 78.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -72.62 -27.83 62.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.611 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -86.42 -38.88 16.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 109.323 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -59.33 -15.76 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.695 HD22 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -75.67 -62.65 1.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.695 ' N ' HD22 ' A' ' 17' ' ' ASN . 78.1 t -54.81 -20.21 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -47.3 -49.66 23.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -28.22 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -63.26 -56.02 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . 82.19 -69.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.15 153.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.485 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -137.34 -84.02 0.13 Allowed Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.903 HG13 HG21 ' A' ' 40' ' ' VAL . 1.8 t -106.47 -43.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.632 0.842 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -38.13 -31.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' VAL . 31.8 t80 -131.55 169.77 15.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' CE ' ' HA ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER 75.5 1.51 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.1 OUTLIER -65.87 -3.63 5.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -14.44 9.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.714 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -91.39 12.33 20.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.451 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 20.7 t30 64.66 65.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.17 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.603 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.05 126.73 83.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 111.049 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.93 177.7 8.22 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 35' ' ' VAL . 50.2 t -66.59 56.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.557 HG22 ' HB3' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -150.28 159.49 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.77 -35.88 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.23 -8.91 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -105.67 -1.6 24.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.903 HG21 HG13 ' A' ' 25' ' ' VAL . 1.2 t -84.02 -37.22 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.6 -30.88 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -24.42 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.243 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.579 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 8.6 mm-40 -73.62 -81.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.74 120.68 0.94 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.92 ' HB2' HD23 ' A' ' 48' ' ' LEU . 18.0 Cg_endo -75.03 79.07 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -31.94 -36.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.611 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 8.4 p-80 -55.11 -12.19 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.596 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.92 HD23 ' HB2' ' A' ' 45' ' ' PRO . 3.5 mm? -82.87 -45.82 13.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 4.6 ptm180 -49.98 -37.1 30.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.7 m -83.25 -33.95 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.0 OUTLIER -76.73 -11.14 59.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 108.007 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CE2' HD12 ' A' ' 48' ' ' LEU . 2.0 m-85 -100.6 -39.28 7.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -101.41 0.26 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 0.0 110.4 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.678 ' OE1' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -34.73 -83.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.596 ' HA ' HG21 ' A' ' 11' ' ' THR . 3.4 ttm180 39.85 28.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER 76.67 52.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.623 HG22 ' HA ' ' A' ' 54' ' ' GLU . 1.4 tt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 65' ' ' ASN . 69.9 t -41.72 -90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.406 ' N ' HG12 ' A' ' 64' ' ' VAL . 9.4 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.9 m -72.09 -35.71 69.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.49 -25.75 67.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mmm -62.4 -35.69 79.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -78.65 -29.68 45.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.354 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.578 ' HG3' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -77.25 -38.31 51.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -11.72 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -97.62 -57.0 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.7 t -57.89 -16.07 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -58.16 -16.78 14.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -100.03 -4.33 30.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 20' ' ' LEU . . . -44.68 -94.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.93 76.98 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 40.68 -154.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.573 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -143.64 67.12 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.117 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.916 ' HA ' HG21 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -120.67 -40.69 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.76 -71.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.528 ' CG ' ' HB ' ' A' ' 64' ' ' VAL . 0.3 OUTLIER -97.38 47.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 110.992 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 1.1 tpmp? -129.5 4.89 5.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.081 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 33' ' ' MET . 0.2 OUTLIER -75.59 2.33 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.268 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -21.84 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.682 ' CD2' ' O ' ' A' ' 31' ' ' TYR . 1.3 p90 -108.71 24.5 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 111.017 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 16.3 t-20 64.61 65.38 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 1.004 ' SD ' HG23 ' A' ' 40' ' ' VAL . 7.1 tpt -83.44 124.78 75.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.557 ' HD2' ' HE3' ' A' ' 33' ' ' MET . 18.2 Cg_endo -74.99 178.7 6.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.4 m -68.1 59.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.679 ' O ' ' HE2' ' A' ' 33' ' ' MET . 49.3 mt -145.12 161.84 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -120.95 -17.21 7.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.37 1.16 56.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.751 ' HB3' ' CE ' ' A' ' 33' ' ' MET . . . -106.22 -14.26 15.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.004 HG23 ' SD ' ' A' ' 33' ' ' MET . 0.8 OUTLIER -76.38 -37.24 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.49 -37.17 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.509 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 5.2 ptm180 -62.29 -33.06 73.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.511 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 18.9 mm-40 -86.99 -80.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -162.4 98.08 1.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.649 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -74.93 132.54 15.63 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.79 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -60.4 -46.62 89.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.675 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 32.4 p-80 -53.52 -18.22 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.649 HD23 ' HG2' ' A' ' 45' ' ' PRO . 1.8 mm? -86.63 -59.27 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.4 ptm180 -50.58 -37.3 39.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.7 t -75.64 -39.79 57.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.675 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.1 m-90 -75.38 -10.76 59.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 107.975 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.597 ' CE1' HD12 ' A' ' 48' ' ' LEU . 2.4 m-85 -100.66 -41.1 7.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.538 ' O ' ' CG ' ' A' ' 53' ' ' ARG . 9.0 ttt180 -97.69 -1.99 42.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.269 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.898 ' O ' HG23 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -34.8 -92.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.547 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 25.78 88.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 110.223 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 55' ' ' ARG . 1.1 mt 38.37 87.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.37 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 54' ' ' GLU . 1.1 pt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.528 ' HB ' ' CG ' ' A' ' 27' ' ' PHE . 2.8 t -97.9 -10.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.178 . . . . 0.0 109.356 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' A' ' 13' ' ' MET . 1.1 tt0 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.517 HG21 ' OE2' ' A' ' 54' ' ' GLU . 16.4 m -95.32 -25.57 16.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -81.34 -15.03 56.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.067 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -74.38 -31.02 62.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -74.57 -30.04 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.587 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -81.11 -52.72 7.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -41.18 -32.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 15' ' ' LYS . 6.1 t-20 -66.88 -66.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.693 HG13 ' HB3' ' A' ' 21' ' ' ALA . 40.0 t -57.88 -16.74 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 17.8 t70 -40.72 -29.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.441 ' N ' ' C ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -82.11 -48.25 11.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.693 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -59.83 -16.4 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' ALA . . . -39.12 155.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB3' ' OE1' ' A' ' 46' ' ' GLU . . . -98.37 -158.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.22 -85.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.039 HG22 HG21 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -109.25 -14.43 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.496 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -32.81 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.483 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 4.1 p90 -124.34 160.25 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER 87.32 7.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.594 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -38.01 -48.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.244 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 59.57 -71.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 110.268 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.616 ' CD1' ' HB2' ' A' ' 33' ' ' MET . 2.7 p90 -67.03 -18.01 65.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 22.1 t30 62.15 64.74 0.94 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.616 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 4.7 tpp -80.05 138.69 53.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.607 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.01 -174.09 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -41.68 89.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 109.345 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.607 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -179.17 149.73 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.45 -18.88 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.65 -48.26 55.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.306 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.489 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -74.49 -2.87 27.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.039 HG21 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -80.24 -49.5 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.55 -33.78 47.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -32.66 73.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 13.2 mm-40 -75.47 -77.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.36 116.14 2.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 110.207 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.618 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.2 Cg_endo -75.02 132.82 15.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.64 ' O ' ' N ' ' A' ' 49' ' ' ARG . 1.1 mp0 -58.02 -65.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.692 ' NE2' HD22 ' A' ' 48' ' ' LEU . 43.1 p-80 -36.3 -52.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.594 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -41.65 -28.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.64 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.5 ptm180 -59.65 -43.76 93.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 2.9 m -102.65 -22.79 13.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.587 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -71.56 -20.66 61.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.006 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -113.98 -30.27 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -103.13 2.43 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.389 1.056 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.575 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -30.69 -40.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.524 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER 29.02 -142.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.28 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.6 45.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 54' ' ' GLU . 2.8 tt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.682 HG12 ' N ' ' A' ' 65' ' ' ASN . 70.2 t -95.71 -105.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.682 ' N ' HG12 ' A' ' 64' ' ' VAL . 1.3 t-20 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.99 HG21 ' O ' ' A' ' 54' ' ' GLU . 29.7 m -83.86 -47.91 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.427 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -61.13 -26.31 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.363 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -34.23 75.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -80.24 -25.89 39.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -82.17 -40.09 22.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.8 -18.22 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -75.38 -70.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' ALA . 72.2 t -50.81 -32.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -40.62 -51.97 2.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 21' ' ' ALA . 2.8 pp -46.43 -45.39 18.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -70.97 -65.63 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 64.73 123.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -177.62 67.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.506 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -115.55 55.25 0.55 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.044 ' HA ' HG21 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -122.87 -78.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.4 0.706 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.62 -46.27 79.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.463 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -89.94 32.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -165.63 27.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.776 ' HB2' HG11 ' A' ' 64' ' ' VAL . 5.9 mt-10 -35.08 -48.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 61.28 -69.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 47.9 p90 -110.26 32.32 5.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.434 1.084 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 19.2 t30 54.58 62.78 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.632 ' HG2' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -76.27 149.71 82.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.0 178.12 7.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 m -68.14 60.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.549 HG22 ' H ' ' A' ' 39' ' ' ALA . 56.9 mt -142.31 151.77 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.644 ' HA ' HG11 ' A' ' 25' ' ' VAL . . . -103.24 -26.52 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -83.14 1.68 39.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.549 ' H ' HG22 ' A' ' 36' ' ' ILE . . . -100.54 -41.36 7.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.044 HG21 ' HA ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -56.02 -37.43 48.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -84.05 -38.25 21.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -59.29 -32.39 70.0 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 2.5 mm-40 -94.42 -80.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.94 110.81 3.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.58 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.0 Cg_endo -74.99 80.04 2.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 45.7 tt0 -45.74 -25.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.787 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 47.6 p-80 -74.3 -21.55 59.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.607 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.787 ' CD2' ' CD2' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -77.82 -47.97 17.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 50' ' ' SER . 2.8 ptm180 -41.86 -35.12 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 0.9 OUTLIER -82.41 -40.13 21.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.566 1.166 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.3 m-90 -79.34 0.78 27.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 108.03 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.8 m-30 -114.32 -45.94 3.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.5 ttp180 -89.62 0.28 57.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.99 ' O ' HG21 ' A' ' 11' ' ' THR . 3.0 pt-20 -37.44 -31.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.5 tpp180 -71.7 84.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mt 62.72 82.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 109.38 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 29' ' ' GLU . 86.9 t -97.99 -106.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.662 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.37 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.721 HG21 ' O ' ' A' ' 54' ' ' GLU . 2.3 m -62.78 -28.19 69.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -80.26 -9.4 59.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -37.54 31.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -65.15 -34.96 79.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.613 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -79.71 -46.24 17.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -47.01 -32.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -68.14 -67.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' ALA . 46.9 t -55.37 -18.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' VAL . 39.9 t0 -38.42 -51.58 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mp -51.69 -48.9 63.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.354 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 22' ' ' ALA . . . -74.17 -89.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . 72.77 160.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.79 -170.91 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.478 ' C ' HG11 ' A' ' 40' ' ' VAL . . . -153.42 -84.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.968 HG13 HG21 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -106.77 -14.83 9.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.417 0.716 . . . . 0.0 109.292 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -36.71 -35.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.72 ' HA ' HG11 ' A' ' 64' ' ' VAL . 1.9 m-85 -57.83 -49.89 75.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' VAL . 17.3 tptt 76.1 2.98 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -121.12 -10.72 8.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.696 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -35.18 94.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 30' ' ' ARG . 43.9 p90 40.74 34.75 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 17.7 t-20 64.51 57.82 1.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 1.071 ' CE ' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -78.48 140.24 59.91 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.55 ' N ' ' HG3' ' A' ' 33' ' ' MET . 18.4 Cg_endo -75.04 -174.07 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.37 57.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.59 HG22 ' HE1' ' A' ' 33' ' ' MET . 79.5 mt -146.58 155.22 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.476 ' HA ' HG21 ' A' ' 25' ' ' VAL . . . -117.28 -19.65 9.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.22 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 25.6 tt0 -76.44 -12.16 60.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.071 ' HB3' ' CE ' ' A' ' 33' ' ' MET . . . -101.71 -17.94 16.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.992 HG23 ' SD ' ' A' ' 33' ' ' MET . 0.9 OUTLIER -67.75 -29.87 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.43 -36.55 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.474 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 3.0 ptm180 -66.17 -32.86 74.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 6.0 mm-40 -85.47 -80.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -159.47 99.95 1.54 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.846 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.01 137.08 21.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 1.8 tm-20 -55.06 -52.17 64.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.663 ' NE2' HD22 ' A' ' 48' ' ' LEU . 11.1 p-80 -47.56 -22.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.649 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.846 HD23 ' HG2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -85.21 -66.51 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -50.5 -33.27 20.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -72.25 -45.37 60.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.613 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.2 m-90 -75.63 -6.23 49.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 107.983 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 1.3 m-85 -101.75 -42.38 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -89.17 -4.75 58.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.721 ' O ' HG21 ' A' ' 11' ' ' THR . 14.1 pt-20 -41.54 -40.22 1.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -45.96 -34.61 4.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.348 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -112.09 -73.93 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.72 HG11 ' HA ' ' A' ' 27' ' ' PHE . 93.6 t -97.97 -107.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.655 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.717 HG21 ' O ' ' A' ' 54' ' ' GLU . 2.9 m -66.62 -54.49 22.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -60.97 -24.01 65.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -34.66 78.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -78.96 -26.98 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.548 ' HG3' ' CE3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -79.4 -53.59 6.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.175 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.1 -25.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.66 HD22 ' N ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -76.04 -59.61 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.374 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.865 HG13 ' HB3' ' A' ' 21' ' ' ALA . 36.6 t -65.01 -10.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -40.46 -29.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -82.7 -48.23 11.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.865 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -62.45 -19.91 64.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.674 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -39.53 -56.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 83.97 -72.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.564 ' O ' HG13 ' A' ' 40' ' ' VAL . . . 110.54 -35.14 4.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.922 HG13 HG21 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -112.75 -12.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . -34.14 -33.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' VAL . 46.6 m-85 -104.66 -43.54 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.848 ' HB3' HG12 ' A' ' 25' ' ' VAL . 0.1 OUTLIER 37.85 31.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -120.7 -38.85 2.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 110.251 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -33.72 -35.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.927 ' OH ' HG22 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -124.77 -9.14 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 15.4 t30 58.26 65.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.591 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -99.26 166.87 12.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.158 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.08 -176.05 2.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 0.0 110.954 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 m -67.19 60.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.62 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -132.25 155.75 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 40' ' ' VAL . . . -109.11 -37.08 5.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.87 -13.03 20.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.397 1.06 . . . . 0.0 110.234 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.62 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -105.16 -1.72 25.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.927 HG22 ' OH ' ' A' ' 31' ' ' TYR . 0.9 OUTLIER -85.12 -39.43 14.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.42 -33.06 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -24.55 63.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 39' ' ' ALA . 65.1 mm-40 -83.0 -81.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.66 109.98 0.68 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.892 ' HB2' HD23 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.08 79.11 2.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -34.06 -33.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.628 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 8.7 p-80 -56.74 -13.06 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.62 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.892 HD23 ' HB2' ' A' ' 45' ' ' PRO . 2.7 mm? -80.51 -48.95 12.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 50' ' ' SER . 5.8 ptm180 -37.64 -32.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.5 m -91.35 -39.47 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CE3' ' HG3' ' A' ' 15' ' ' LYS . 1.1 m-90 -71.06 -12.25 61.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -105.43 -41.63 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -88.63 0.22 56.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.717 ' O ' HG21 ' A' ' 11' ' ' THR . 0.7 OUTLIER -39.39 -29.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.46 ' N ' ' OE2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -49.65 -26.4 3.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 110.344 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.82 79.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 tt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.688 HG12 ' N ' ' A' ' 65' ' ' ASN . 65.7 t -126.88 -103.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.688 ' N ' HG12 ' A' ' 64' ' ' VAL . 14.1 t-20 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.363 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.608 ' HG2' HD23 ' A' ' 2' ' ' LEU . 7.8 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.54 0.21 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.608 HD23 ' HG2' ' A' ' 1' ' ' MET . 0.6 OUTLIER -168.07 71.47 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.5 164.32 21.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.33 150.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 pp -51.69 164.44 0.24 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.251 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.94 93.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.709 ' O ' HD23 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -80.42 -46.2 16.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.709 HD23 ' O ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER 163.69 107.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -172.63 49.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.435 ' O ' ' CG ' ' A' ' 13' ' ' MET . 4.3 tt0 -105.64 -21.68 13.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.273 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.0 m -52.91 -27.82 20.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' A' ' 54' ' ' GLU . 9.5 tt0 -65.86 -28.06 68.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 110.344 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.435 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -59.99 -32.37 70.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.037 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.427 ' N ' ' HG3' ' A' ' 13' ' ' MET . 18.2 t0 -85.7 -26.05 26.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.595 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.4 -39.53 28.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.82 -14.8 10.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.596 HD22 ' N ' ' A' ' 18' ' ' VAL . 1.4 t30 -84.01 -63.46 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.596 ' N ' HD22 ' A' ' 17' ' ' ASN . 20.4 t -63.77 -13.73 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -55.52 -29.01 58.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 tp -84.93 -27.56 26.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.418 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -57.35 -78.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -116.82 163.47 16.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -111.07 -1.29 16.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.33 42.64 1.86 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 111.05 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.066 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -117.55 -79.0 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.18 -33.94 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -52.39 -60.82 2.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.482 ' CG ' ' HG3' ' A' ' 46' ' ' GLU . 22.2 ptmt -177.43 118.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -33.75 -37.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER 71.96 -61.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 47.1 p90 -117.2 23.81 11.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 110.972 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.432 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 17.8 t-20 63.75 64.05 0.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.522 ' HB3' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.79 146.95 73.47 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 -176.38 2.85 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.787 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.1 t -67.53 57.02 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.536 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -149.14 156.12 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.43 -31.99 6.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.08 -13.19 59.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.536 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -97.01 -22.92 16.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.066 ' CG2' HG13 ' A' ' 25' ' ' VAL . 1.0 OUTLIER -67.94 -33.45 61.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.74 -37.93 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -65.6 -30.41 71.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 10.8 mm-40 -90.73 -78.11 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.162 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.48 101.25 2.04 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.247 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.597 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.99 131.07 13.88 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -59.14 -55.86 29.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.68 ' NE2' HD22 ' A' ' 48' ' ' LEU . 34.6 p-80 -42.78 -47.9 5.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.576 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.68 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -45.12 -29.17 0.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.3 ptm180 -58.37 -39.58 79.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.551 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -101.93 -28.34 12.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.595 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -70.5 -25.87 63.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 26.4 t80 -102.19 -37.42 8.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -92.82 1.4 57.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.6 OUTLIER -33.41 -37.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 53' ' ' ARG . 15.0 mmt85 -39.44 -31.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.448 ' O ' ' CD ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -174.06 69.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.605 HG23 ' H ' ' A' ' 58' ' ' ALA . 12.8 tt -40.59 -61.36 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.605 ' H ' HG23 ' A' ' 57' ' ' ILE . . . 64.05 151.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.7 -76.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.605 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.573 ' HD2' HD13 ' A' ' 57' ' ' ILE . 1.4 ttt180 68.44 168.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.6 mt 66.08 158.57 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -159.94 -68.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 m 63.16 100.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.122 . . . . 0.0 110.027 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 28' ' ' LYS . 6.8 t -128.49 -44.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.56 -58.97 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.8 tp -40.2 -63.39 0.62 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.2 m 60.32 118.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.3 ptt85 -139.2 170.25 16.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 69.85 83.1 0.17 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -164.26 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -118.44 42.66 2.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.567 1.167 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -42.58 156.26 0.25 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -40.91 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.49 1.784 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.06 152.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 tp 67.59 64.0 0.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 109.263 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.8 pttp . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 mtt . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.515 0.198 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.72 -66.24 0.6 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.27 -167.46 1.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 t30 66.96 90.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.246 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.569 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 1.3 tp -179.14 165.3 1.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.569 ' HB3' ' O ' ' A' ' 5' ' ' LEU . . . 75.38 105.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.28 -39.98 38.3 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.555 1.16 . . . . 0.0 109.249 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' O ' ' CG ' ' A' ' 9' ' ' ASP . 0.7 OUTLIER 61.17 76.53 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 8' ' ' LEU . 4.3 m-20 -166.75 51.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -120.17 -4.63 10.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 110.352 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.623 HG22 ' HB2' ' A' ' 54' ' ' GLU . 2.1 m -61.0 -37.06 81.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' A' ' 54' ' ' GLU . 14.2 tt0 -66.37 -27.36 67.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.0 ttt -61.41 -37.67 84.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -79.77 -26.0 40.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.581 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.0 -39.25 30.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.63 -14.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.689 HD22 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -85.35 -62.84 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.372 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.689 ' N ' HD22 ' A' ' 17' ' ' ASN . 91.9 t -64.98 -11.69 11.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 20' ' ' LEU . 4.1 p-10 -44.39 -45.0 8.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.465 ' O ' HD23 ' A' ' 20' ' ' LEU . 3.1 tt -57.39 -39.82 76.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -41.04 -51.65 3.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.43 -152.2 0.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.65 125.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -160.79 52.82 0.34 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.573 1.171 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.036 HG13 HG21 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -118.51 -36.37 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.435 0.726 . . . . 0.0 109.363 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.666 ' HB1' ' OG ' ' A' ' 67' ' ' SER . . . -38.5 -34.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -153.67 70.39 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -146.25 18.12 1.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' HA ' ' CG ' ' A' ' 33' ' ' MET . 1.7 pm0 -79.25 1.18 25.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.85 -34.98 9.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 110.265 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.618 ' CE1' ' HB3' ' A' ' 33' ' ' MET . 12.6 p90 -99.41 27.37 5.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.405 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 15.0 t-20 57.34 63.54 1.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.272 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.618 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.84 134.06 61.13 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.1 Cg_endo -75.07 176.45 9.91 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.506 1.793 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 35' ' ' VAL . 14.2 p -69.08 56.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.607 HG22 ' H ' ' A' ' 39' ' ' ALA . 58.7 mt -145.1 161.01 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -104.18 -32.03 9.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -64.75 -47.77 77.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.607 ' H ' HG22 ' A' ' 36' ' ' ILE . . . -58.01 -22.16 48.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.036 HG21 HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -75.0 -32.53 27.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.08 -37.54 15.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.401 1.063 . . . . 0.0 110.327 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 2.0 ptm180 -68.0 -36.05 79.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.447 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 3.2 mm-40 -82.88 -72.76 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.274 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.42 109.58 2.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.376 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.593 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.3 Cg_endo -74.96 132.92 16.02 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.51 1.795 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.593 ' O ' ' N ' ' A' ' 49' ' ' ARG . 3.1 tp10 -57.45 -66.15 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.689 ' NE2' HD22 ' A' ' 48' ' ' LEU . 41.3 p-80 -36.19 -54.47 0.8 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.552 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.689 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -38.5 -33.17 0.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.341 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.593 ' N ' ' O ' ' A' ' 46' ' ' GLU . 7.0 ptm180 -50.9 -44.35 59.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 110.294 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 30.6 t -99.26 -29.56 12.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 110.019 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.581 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.5 m-90 -68.76 -22.1 64.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.005 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 25.1 t80 -98.15 -45.88 6.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.048 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.7 ttp180 -86.92 3.13 46.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.623 ' HB2' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -34.42 -33.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.305 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.2 ttm180 -79.31 108.72 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 42.1 mt 66.39 63.32 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.34 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 58' ' ' ALA . 2.1 tp -83.24 0.82 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' ILE . . . -37.35 -38.2 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -101.69 137.78 39.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.606 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -178.64 126.61 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.536 HD22 ' O ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -155.76 162.53 40.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -178.0 -67.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 t 63.25 76.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.046 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 65' ' ' ASN . 74.7 t -113.55 -99.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.544 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.7 OUTLIER -83.47 -61.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 78.85 94.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.666 ' OG ' ' HB1' ' A' ' 26' ' ' ALA . 59.0 m -103.32 160.02 15.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -116.19 134.99 54.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.351 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 0.7 OUTLIER -161.14 145.92 10.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 18.1 Cg_endo -75.01 -178.22 4.02 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.553 ' CE2' ' HD3' ' A' ' 73' ' ' PRO . 3.0 p90 -131.01 -46.24 1.02 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.12 93.46 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.339 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 71' ' ' TYR . 18.1 Cg_endo -75.07 -32.57 5.2 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.586 1.835 . . . . 0.0 110.942 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt 45.78 -165.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 69.55 94.66 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.528 0.204 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -160.99 158.6 28.25 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.106 . . . . 0.0 109.378 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.71 58.96 1.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.679 ' O ' HD23 ' A' ' 8' ' ' LEU . 15.9 t30 -42.6 137.58 2.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -111.82 53.77 0.71 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -118.76 -71.64 0.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.394 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -92.09 -57.98 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.412 1.07 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 4' ' ' ASN . 0.2 OUTLIER 39.66 73.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -127.75 38.19 4.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 60.32 14.27 4.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.427 ' CG2' ' CG ' ' A' ' 54' ' ' GLU . 1.8 m -74.09 -63.66 1.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.16 . . . . 0.0 110.381 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -54.09 -22.51 11.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.93 -33.85 76.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.069 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -73.44 -28.88 62.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -85.98 -41.1 15.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 109.388 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -57.75 -16.22 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.609 HD22 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -81.65 -58.51 2.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.609 ' N ' HD22 ' A' ' 17' ' ' ASN . 28.3 t -67.25 -9.81 10.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -55.93 -19.07 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -92.26 -18.73 23.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HB2' HG13 ' A' ' 18' ' ' VAL . . . -39.06 -75.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.569 1.168 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -167.26 -163.05 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.04 -163.87 0.66 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . -121.54 53.67 0.7 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.059 HG13 HG21 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -118.3 -39.54 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.395 0.703 . . . . 0.0 109.347 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -38.27 -43.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.762 ' CD1' HG21 ' A' ' 64' ' ' VAL . 1.3 t80 -135.69 61.08 1.66 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 111.059 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.528 ' CD ' ' O ' ' A' ' 44' ' ' GLN . 1.3 tpmp? -145.77 23.99 1.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.261 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.488 ' HA ' ' CG ' ' A' ' 33' ' ' MET . 0.1 OUTLIER -87.11 1.77 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 ttt-85 -52.52 -42.59 64.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.515 1.134 . . . . 0.0 110.22 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 31' ' ' TYR . 9.6 p90 -88.74 25.08 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.2 t30 59.81 63.37 1.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.629 ' SD ' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -79.36 125.6 82.8 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -75.01 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.482 1.78 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 m -67.2 58.01 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.508 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.6 OUTLIER -145.38 164.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.45 ' N ' HG23 ' A' ' 36' ' ' ILE . . . -120.24 -32.45 4.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.428 1.08 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.45 -11.31 57.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 110.298 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.492 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -100.21 -21.8 15.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.093 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.059 HG21 HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -68.78 -34.37 64.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.474 ' CG ' ' HG3' ' A' ' 45' ' ' PRO . 2.0 tt0 -86.4 -38.3 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 -59.79 -34.46 73.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -90.62 -77.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.235 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.528 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 1.1 tt0 -161.14 99.99 1.27 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.648 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.02 134.59 17.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -58.46 -63.76 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 110.246 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.645 ' NE2' HD22 ' A' ' 48' ' ' LEU . 27.5 p-80 -37.93 -30.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.61 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.648 HD23 ' HG2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -70.65 -55.08 9.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 2.6 ptm180 -44.9 -36.95 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.266 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.3 m -85.3 -35.59 21.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.596 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -71.66 -7.91 50.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.6 OUTLIER -108.2 -36.77 6.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.7 ttp180 -98.82 1.06 45.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -37.81 -30.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -71.48 71.89 0.69 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 tt 71.63 104.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.733 HG23 ' H ' ' A' ' 58' ' ' ALA . 0.5 OUTLIER -121.28 -91.74 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.733 ' H ' HG23 ' A' ' 57' ' ' ILE . . . -171.26 44.33 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 28.7 m80 61.99 -169.44 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.596 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -94.16 134.46 36.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.624 HD23 ' H ' ' A' ' 62' ' ' ALA . 0.2 OUTLIER -176.73 167.67 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.342 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.624 ' H ' HD23 ' A' ' 61' ' ' LEU . . . -165.8 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 73.06 17.56 4.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 109.934 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.762 HG21 ' CD1' ' A' ' 27' ' ' PHE . 92.1 t -87.62 -107.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.644 ' N ' HG12 ' A' ' 64' ' ' VAL . 7.7 t-20 -75.89 -65.73 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 tp 65.92 82.9 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.4 m -91.31 166.86 12.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.946 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -174.92 125.14 0.27 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.23 152.1 54.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.587 1.18 . . . . 0.0 109.356 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 161.69 38.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -167.11 147.07 5.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -176.87 95.52 0.24 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 110.352 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 74' ' ' LYS . 18.6 Cg_endo -74.94 175.99 10.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 110.965 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 73' ' ' PRO . 13.5 tmtt? -176.47 150.5 0.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.19 99.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.46 0.171 . . . . 0.0 111.01 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.681 ' C ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -164.42 163.06 22.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.535 ' N ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -158.45 -69.58 0.09 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 57.51 106.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -171.53 46.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 51.65 79.76 0.1 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 10' ' ' GLN . 9.5 pttp -77.42 -41.37 40.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 9' ' ' ASP . 0.1 OUTLIER 40.2 73.2 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER 63.14 58.11 1.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.462 ' CB ' ' HB2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -105.22 -5.54 20.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.467 ' CG2' ' CD ' ' A' ' 54' ' ' GLU . 2.1 m -60.81 -50.14 74.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 110.401 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 18.2 tt0 -69.47 -16.92 63.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.128 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -36.27 68.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -69.24 -30.12 68.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.587 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -84.07 -37.15 22.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.402 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER -64.04 -12.42 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.713 HD22 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -86.95 -63.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.713 ' N ' HD22 ' A' ' 17' ' ' ASN . 65.9 t -54.59 -19.99 4.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -57.36 -25.31 59.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.9 -20.28 27.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -63.8 -68.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -142.24 -166.31 2.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -125.64 -144.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.467 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -124.04 50.47 0.85 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.017 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -120.92 -80.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.372 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.25 -22.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.98 -58.47 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' O ' ' N ' ' A' ' 30' ' ' ARG . 5.9 tttt -176.1 111.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -33.64 -34.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.506 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 68.27 -60.25 0.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.27 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 46.7 p90 -119.27 25.96 9.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.425 ' CA ' ' HB2' ' A' ' 29' ' ' GLU . 18.2 t30 62.94 62.94 0.99 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.553 ' SD ' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -76.88 142.83 69.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.51 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -75.05 -175.91 2.62 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.416 ' O ' HG12 ' A' ' 35' ' ' VAL . 46.2 t -66.75 57.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.523 HG22 ' HB3' ' A' ' 39' ' ' ALA . 1.1 mt -148.78 154.74 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.18 -30.88 6.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.3 tp10 -67.19 -13.09 61.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.523 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -98.71 -22.68 15.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.017 ' CG2' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -68.44 -32.14 54.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.2 -38.67 14.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 -65.66 -31.02 71.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 3.6 mm-40 -88.73 -78.1 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.15 . . . . 0.0 110.27 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -153.23 98.16 2.76 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.237 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.622 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.1 131.75 14.52 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.469 1.773 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 49' ' ' ARG . 1.5 tt0 -59.02 -56.21 25.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.248 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.683 ' NE2' HD22 ' A' ' 48' ' ' LEU . 34.1 p-80 -42.71 -47.52 5.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.55 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.683 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -46.25 -26.94 0.88 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 4.7 ptm180 -60.03 -39.29 85.39 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.455 1.097 . . . . 0.0 110.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 36.8 m -103.65 -28.25 11.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.574 1.171 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.587 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -69.84 -21.91 63.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 108.014 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.489 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 13.6 t80 -108.79 -37.17 5.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.903 ' HB3' HD12 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -94.86 2.36 55.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -33.53 -36.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.1 OUTLIER -54.41 88.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 110.257 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 54' ' ' GLU . 2.0 mp 52.96 92.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.903 HD12 ' HB3' ' A' ' 53' ' ' ARG . 6.9 tt -115.9 -53.47 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.505 ' N ' HG23 ' A' ' 57' ' ' ILE . . . 55.6 81.01 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.255 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.523 ' CE1' HD13 ' A' ' 61' ' ' LEU . 0.7 OUTLIER -109.17 -178.03 3.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.559 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.0 -11.42 12.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.394 1.059 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.673 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 1.1 tp 47.19 93.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.673 ' HB2' ' O ' ' A' ' 61' ' ' LEU . . . 165.05 108.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.8 m -137.1 -82.66 0.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.639 HG12 ' N ' ' A' ' 65' ' ' ASN . 97.5 t -89.06 -108.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.639 ' N ' HG12 ' A' ' 64' ' ' VAL . 5.4 t-20 -74.62 -62.1 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER 51.18 73.78 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 109.361 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.4 m -124.33 163.64 21.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.585 1.178 . . . . 0.0 109.95 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.79 165.64 17.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.249 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.03 155.82 70.22 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 176.47 9.89 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.396 1.735 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -142.12 168.67 19.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 110.982 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -155.05 118.12 2.46 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.252 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -64.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.4 1.737 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 58.15 168.38 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.11 108.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.222 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 tttm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.458 0.17 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.3 tp -167.18 34.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 pttm -161.68 54.41 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 175.32 149.67 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.53 107.13 8.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.341 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -138.61 58.26 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -76.29 -34.88 59.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 7' ' ' LYS . 0.5 OUTLIER 38.96 57.21 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 t0 175.14 52.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -98.22 -8.68 26.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.461 ' CG2' ' HG2' ' A' ' 54' ' ' GLU . 2.1 m -63.66 -51.34 65.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.13 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 13.1 tt0 -62.65 -15.54 52.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.3 ttp -74.22 -34.1 63.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.957 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HB3' ' NZ ' ' A' ' 15' ' ' LYS . 34.0 t0 -70.68 -29.98 66.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.376 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -82.84 -52.2 6.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.087 . . . . 0.0 109.341 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 1.2 t -42.87 -33.89 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.25 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -66.62 -68.87 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 82.2 t -47.21 -25.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.79 -30.38 22.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.99 -24.51 32.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -54.28 -77.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.692 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . 178.59 -149.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.824 ' HB1' ' OE2' ' A' ' 46' ' ' GLU . . . 85.04 132.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.466 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . 172.56 -60.02 0.15 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.558 1.161 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.717 HG13 HG21 ' A' ' 40' ' ' VAL . 6.4 t -113.04 -27.43 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.598 0.823 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.469 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -35.48 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.546 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 33.2 m-85 -113.46 119.13 36.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 10.0 tppt? 160.11 -25.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.332 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.2 OUTLIER -42.61 -21.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.283 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.49 ' N ' ' C ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -44.68 -24.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.769 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -87.22 21.36 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 111.034 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 29' ' ' GLU . 13.9 t-20 65.25 63.05 0.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.555 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -80.68 120.26 78.57 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.48 1.112 . . . . 0.0 110.932 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.485 ' O ' ' CE ' ' A' ' 33' ' ' MET . 18.4 Cg_endo -75.04 -179.15 4.71 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 111.029 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 35' ' ' VAL . 11.1 p -68.35 56.05 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.504 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -149.21 156.97 7.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -114.57 -33.92 5.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.4 -15.1 56.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.249 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.504 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -89.76 -21.02 22.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.717 HG21 HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -63.97 -41.36 92.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -37.61 20.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.567 1.167 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -65.11 -34.18 77.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 31.1 mm-40 -80.86 -77.47 0.2 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.494 1.121 . . . . 0.0 110.354 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.68 110.05 1.81 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.529 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.5 Cg_endo -74.93 131.46 14.4 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.006 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.824 ' OE2' ' HB1' ' A' ' 23' ' ' ALA . 2.0 pp20? -58.69 -51.13 71.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.617 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 23.1 p-80 -45.68 -45.05 13.92 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.606 1.191 . . . . 0.0 109.618 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.617 ' CD2' ' NE2' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -51.38 -26.51 7.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.395 1.06 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.614 ' HD2' HD22 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -59.56 -39.87 85.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.25 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 2.8 m -103.88 -27.08 12.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.597 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -70.66 -20.79 62.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 108.007 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 27.2 t80 -107.77 -41.48 4.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -91.8 2.47 56.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.534 ' CB ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -33.12 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 53' ' ' ARG . 3.0 mtp180 -39.1 -54.74 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.17 80.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.4 tt -62.74 -32.48 55.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.81 112.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 173.37 -175.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 109.594 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -143.36 92.57 2.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.614 HD22 ' HD2' ' A' ' 49' ' ' ARG . 1.3 mp -110.75 -177.47 3.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 61' ' ' LEU . . . 68.38 88.08 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 p -165.04 47.94 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.005 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.654 ' O ' HD23 ' A' ' 66' ' ' LEU . 78.5 t -124.72 -106.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.651 ' N ' HG12 ' A' ' 64' ' ' VAL . 2.8 t-20 -40.38 -39.08 0.91 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 109.257 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.654 HD23 ' O ' ' A' ' 64' ' ' VAL . 1.1 pp 37.83 71.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.2 m -52.85 -175.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 70' ' ' PRO . 30.6 ttt180 -95.6 127.93 42.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 68' ' ' ARG . 7.4 tp -39.31 99.75 0.2 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 68' ' ' ARG . 18.6 Cg_endo -74.93 179.49 6.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.478 1.778 . . . . 0.0 111.043 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 60.5 173.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.25 75.77 0.27 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.98 -174.28 1.88 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -38.72 -61.8 0.68 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.368 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.97 95.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.245 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.549 0.214 . . . . 0.0 111.05 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.01 175.06 6.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -100.08 153.46 19.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -178.78 144.77 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mp -119.62 174.29 6.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -126.49 -101.25 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -118.54 -56.14 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.365 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 tp 75.49 59.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.454 ' OD2' ' CZ ' ' A' ' 55' ' ' ARG . 0.5 OUTLIER 54.64 45.87 25.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -115.3 3.48 14.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.25 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.769 HG22 ' NZ ' ' A' ' 15' ' ' LYS . 2.9 m -64.01 -37.0 85.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.383 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -57.46 -27.87 62.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.247 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.36 -34.19 74.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -81.96 -26.13 34.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.342 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.769 ' NZ ' HG22 ' A' ' 11' ' ' THR . 0.2 OUTLIER -81.32 -39.92 24.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -57.56 -19.34 11.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' C ' ' N ' ' A' ' 19' ' ' ASP . 2.9 t-20 -80.89 -69.93 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 24.9 t -48.55 -23.17 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -51.53 -35.33 40.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -22.8 67.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.259 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.649 ' O ' ' HB3' ' A' ' 22' ' ' ALA . . . -60.86 -55.77 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . 80.54 179.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.57 119.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -130.96 57.43 0.73 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.057 HG22 HG21 ' A' ' 40' ' ' VAL . 1.7 t -117.69 -55.49 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.394 0.703 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -40.0 -43.14 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.559 ' CD1' ' OE1' ' A' ' 46' ' ' GLU . 2.2 m-85 -37.85 -74.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' CB ' HG21 ' A' ' 64' ' ' VAL . 6.8 tttp -168.06 99.07 0.45 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.7 OUTLIER -42.08 -46.59 4.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.52 -63.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.65 ' OH ' HG22 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -78.37 -11.71 59.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 20.9 t-20 62.55 62.05 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -90.59 170.35 10.23 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.955 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.98 179.96 5.57 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.464 1.77 . . . . 0.0 110.975 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.508 ' O ' HG12 ' A' ' 35' ' ' VAL . 95.5 t -67.01 58.91 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.614 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -133.54 154.62 39.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.87 -39.24 6.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -57.95 -16.1 11.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.293 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.614 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -103.1 0.22 31.61 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.057 HG21 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -91.17 -39.35 11.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.426 1.079 . . . . 0.0 109.291 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.88 -35.96 28.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -60.34 -36.3 77.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' HG3' ' CE ' ' A' ' 33' ' ' MET . 75.7 mm-40 -81.28 -79.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.319 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.0 115.43 2.38 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.605 ' HB2' HD23 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -74.98 78.07 2.97 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.481 1.78 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.559 ' OE1' ' CD1' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -47.1 -23.97 0.59 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.743 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 50.6 p-80 -74.31 -27.58 60.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.743 ' CD2' ' CD2' ' A' ' 47' ' ' HIS . 0.2 OUTLIER -67.36 -31.36 71.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.466 ' CG ' ' N ' ' A' ' 50' ' ' SER . 4.3 ptm180 -49.52 -39.9 35.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.466 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.2 m -81.92 -34.14 30.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.026 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.592 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.4 m-90 -79.93 0.24 32.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.558 1.161 . . . . 0.0 108.032 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.485 ' N ' ' O ' ' A' ' 48' ' ' LEU . 3.0 m-30 -111.79 -39.42 4.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -98.77 1.11 45.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.752 ' O ' HG21 ' A' ' 11' ' ' THR . 0.6 OUTLIER -36.09 -33.82 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.454 ' CZ ' ' OD2' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -65.13 89.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.52 52.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 58' ' ' ALA . 1.6 tt -52.92 -51.04 40.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 109.358 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.444 ' N ' HG23 ' A' ' 57' ' ' ILE . . . 60.03 170.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -53.4 139.42 30.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.569 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.61 -56.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 66.3 134.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -175.58 96.06 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 p -135.16 97.3 3.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.671 HG12 ' N ' ' A' ' 65' ' ' ASN . 69.6 t -68.23 -105.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.671 ' N ' HG12 ' A' ' 64' ' ' VAL . 12.3 m120 -73.19 -54.39 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 54.67 71.46 0.53 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 m -78.24 118.92 20.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.942 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -163.95 153.93 14.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -152.59 101.67 2.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 174.86 12.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.506 1.793 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.0 p90 -153.13 130.56 11.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 177.41 118.57 0.17 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.559 1.162 . . . . 0.0 110.36 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.0 132.92 15.96 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.81 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 73' ' ' PRO . 14.7 mttp -38.7 146.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 66.9 112.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.9 pttt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.334 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 CA-C-O 120.569 0.223 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 pp -68.69 142.14 55.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.03 104.8 0.14 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 176.28 147.14 0.1 Allowed 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.522 ' H ' HD23 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -85.13 -72.45 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -151.29 -87.88 0.07 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.07 -34.98 61.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.522 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER 40.54 59.31 2.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 8' ' ' LEU . 33.9 m-20 -178.99 42.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -77.48 -25.17 50.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.254 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.418 HG22 ' HG3' ' A' ' 54' ' ' GLU . 3.3 m -66.42 -53.98 29.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.375 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 15.8 tt0 -57.69 -22.51 46.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -65.62 -33.87 76.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 111.043 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -74.46 -28.55 61.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.287 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -83.21 -52.19 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.352 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.9 OUTLIER -47.15 -23.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.222 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.704 HD22 ' N ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -72.86 -62.32 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.1 . . . . 0.0 109.287 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.704 ' N ' HD22 ' A' ' 17' ' ' ASN . 92.1 t -61.7 -14.56 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.412 ' OD1' ' NE1' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -59.25 -15.42 15.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 109.384 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.93 -16.32 21.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.44 -99.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.33 178.21 4.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -100.57 -93.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.53 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . 172.94 55.26 0.05 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.533 1.145 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.828 ' HA ' HG21 ' A' ' 40' ' ' VAL . 1.4 t -114.15 -37.36 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.755 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.529 ' HB3' ' CE1' ' A' ' 27' ' ' PHE . . . -65.43 -11.83 46.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.576 ' HA ' HG11 ' A' ' 64' ' ' VAL . 2.8 m-85 -132.66 152.24 51.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.576 1.173 . . . . 0.0 110.957 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 1.0 OUTLIER 89.08 -16.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.388 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -37.71 -28.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 110.343 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -49.35 -23.15 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.698 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.2 OUTLIER -82.0 8.51 10.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 13.0 t-20 73.83 62.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.617 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -89.19 122.89 68.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.96 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.439 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.06 175.73 10.86 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.395 1.734 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.2 t -69.09 54.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.572 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -145.8 158.03 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.492 1.12 . . . . 0.0 109.215 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.98 -34.53 6.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 0.0 109.265 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.59 -12.14 42.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.572 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -99.67 -19.88 16.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.828 HG21 ' HA ' ' A' ' 25' ' ' VAL . 1.0 OUTLIER -72.95 -38.72 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -79.99 -38.69 31.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' C ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -63.62 -29.81 71.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.355 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 15.5 mm-40 -87.02 -78.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -160.14 102.52 1.4 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.312 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.738 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.03 130.69 13.47 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.5 1.789 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -58.91 -46.66 87.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.701 ' NE2' HD22 ' A' ' 48' ' ' LEU . 16.6 p-80 -50.1 -37.31 33.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.738 HD23 ' HG2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -59.6 -23.15 62.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER -62.98 -38.38 90.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.9 t -102.3 -28.61 12.16 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.41 1.068 . . . . 0.0 109.964 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.551 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -69.7 -28.09 65.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 107.995 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.511 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 23.8 t80 -100.11 -39.55 8.03 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.999 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -90.34 2.45 55.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.319 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 50' ' ' SER . 1.8 pm0 -35.42 -32.33 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.279 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 53' ' ' ARG . 4.3 ttt85 -69.22 62.43 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 110.345 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 79.15 106.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.583 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 15.0 tt -119.08 -57.48 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.583 ' HB2' ' O ' ' A' ' 57' ' ' ILE . . . 171.34 -161.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.345 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.5 107.2 7.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.576 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.33 156.28 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.42 -168.1 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.593 1.183 . . . . 0.0 109.209 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -99.29 -97.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.242 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.12 123.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.02 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.576 HG11 ' HA ' ' A' ' 27' ' ' PHE . 73.9 t -82.21 -97.11 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.541 ' N ' HG12 ' A' ' 64' ' ' VAL . 8.2 p30 -40.26 -43.11 1.64 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.1 tt 49.46 83.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 m -99.91 -86.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.947 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.83 ' O ' HD22 ' A' ' 69' ' ' LEU . 0.7 OUTLIER -168.49 177.82 5.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 110.323 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.83 HD22 ' O ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -174.87 -59.24 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.255 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -74.96 154.65 42.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.557 1.82 . . . . 0.0 110.955 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.562 ' CD2' ' HD3' ' A' ' 73' ' ' PRO . 2.7 p90 -151.03 -47.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 111.042 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.508 ' C ' ' O ' ' A' ' 71' ' ' TYR . 6.0 pt-20 29.47 91.94 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.098 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.562 ' HD3' ' CD2' ' A' ' 71' ' ' TYR . 18.4 Cg_endo -74.98 73.53 4.28 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.523 1.801 . . . . 0.0 110.982 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.615 ' O ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER 166.58 175.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER 172.17 104.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.137 . . . . 0.0 109.289 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.6 mmtt . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptt? . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.489 0.185 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 49.13 -175.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.59 1.181 . . . . 0.0 109.334 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -128.71 125.83 38.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.412 1.07 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -62.33 91.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 mp 60.01 169.85 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.245 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.76 -50.4 63.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -174.91 -60.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.537 HD23 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER 49.38 93.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -155.14 43.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.588 1.18 . . . . 0.0 109.289 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -111.96 -12.81 13.7 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.555 HG21 ' CD ' ' A' ' 54' ' ' GLU . 2.3 m -66.69 -53.71 30.77 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.437 1.086 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -60.14 -24.29 64.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.266 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 35.5 ttm -63.85 -35.06 79.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -76.67 -26.47 54.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.583 ' HG3' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -84.94 -37.85 20.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.418 1.074 . . . . 0.0 109.355 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.25 -14.72 11.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -79.59 -68.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.489 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 21.4 t -59.19 -14.36 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -50.72 -32.18 18.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.331 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.97 -26.57 62.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.703 ' O ' ' HB3' ' A' ' 22' ' ' ALA . . . -42.86 -72.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.227 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.703 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . 84.69 -178.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 73.91 108.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.48 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -154.75 60.86 0.38 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.017 HG22 HG21 ' A' ' 40' ' ' VAL . 1.4 t -119.18 -64.9 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.72 -25.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.705 ' CE1' ' CB ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -72.74 -42.76 63.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.952 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.582 ' N ' ' CD1' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -177.33 130.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.41 1.069 . . . . 0.0 109.347 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.592 ' O ' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -103.72 -45.46 4.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.325 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 60.11 -70.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.598 1.186 . . . . 0.0 110.285 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.68 ' OH ' HG22 ' A' ' 40' ' ' VAL . 1.1 p90 -62.42 -15.49 49.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 20.5 t30 62.06 62.18 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.491 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 0.4 OUTLIER -86.52 168.88 16.78 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.963 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.4 Cg_endo -75.05 -176.72 3.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.9 t -66.53 59.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.63 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -135.72 155.76 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.147 . . . . 0.0 109.373 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.2 -40.88 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -56.42 -17.68 8.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 110.281 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.63 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -98.05 -13.98 20.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.017 HG21 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -75.92 -41.75 39.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 109.402 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' CG ' ' HB3' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -76.01 -40.26 54.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.33 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -39.23 77.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.639 ' CB ' ' CD2' ' A' ' 31' ' ' TYR . 11.0 mm-40 -82.68 -67.71 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -151.92 102.41 2.84 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.246 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.672 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.2 Cg_endo -75.05 129.72 12.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.541 1.811 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.705 ' CB ' ' CE1' ' A' ' 27' ' ' PHE . 2.3 pm0 -61.42 -42.16 98.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.25 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.648 ' NE2' HD22 ' A' ' 48' ' ' LEU . 25.4 p-80 -54.61 -36.72 64.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.56 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.672 HD23 ' HG2' ' A' ' 45' ' ' PRO . 1.1 mm? -58.8 -22.63 58.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 53' ' ' ARG . 3.6 ptm180 -62.38 -40.02 95.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.534 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 67.1 m -103.48 -27.74 12.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.583 ' CD2' ' HG3' ' A' ' 15' ' ' LYS . 0.9 OUTLIER -69.69 -24.08 63.53 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 8.3 t80 -106.37 -38.15 6.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.695 ' NH2' ' HB3' ' A' ' 58' ' ' ALA . 0.7 OUTLIER -92.57 1.35 57.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.093 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.555 ' CD ' HG21 ' A' ' 11' ' ' THR . 0.0 OUTLIER -34.35 -35.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -48.97 -70.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.56 97.14 5.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.543 HG23 ' N ' ' A' ' 58' ' ' ALA . 2.3 tt -61.61 -57.05 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.695 ' HB3' ' NH2' ' A' ' 53' ' ' ARG . . . 67.8 -170.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -114.21 170.05 8.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.563 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.681 ' C ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER 48.96 94.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.681 HD12 ' C ' ' A' ' 60' ' ' ARG . 7.0 mp -118.42 -40.69 2.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -174.12 101.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.477 1.111 . . . . 0.0 109.244 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.8 p -90.74 64.84 5.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.165 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.655 HG12 ' N ' ' A' ' 65' ' ' ASN . 88.1 t -83.62 -106.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.655 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.9 OUTLIER -90.02 -39.65 12.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.7 tt 75.7 98.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -45.02 143.05 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.005 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -167.46 165.81 14.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.502 1.126 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.738 HD23 ' O ' ' A' ' 69' ' ' LEU . 1.3 tt 62.22 113.11 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.153 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.96 141.73 27.13 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.79 . . . . 0.0 111.069 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -75.65 169.71 17.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -120.73 119.71 29.98 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -44.75 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.773 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.34 -71.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 70.12 92.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.561 1.163 . . . . 0.0 109.369 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.498 0.189 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tp -58.6 157.61 8.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -149.42 -176.54 5.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.416 ' OD1' HD11 ' A' ' 8' ' ' LEU . 2.6 m-20 -177.14 148.02 0.59 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.535 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -57.34 -74.71 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 5' ' ' LEU . . . 174.06 -94.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -29.8 61.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.416 HD11 ' OD1' ' A' ' 4' ' ' ASN . 15.9 mt 44.57 71.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 41.1 t0 178.33 47.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -80.88 -13.08 59.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.3 m -63.02 -46.48 87.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.416 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 17.0 tt0 -61.85 -18.81 61.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -34.68 73.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.353 1.033 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -74.46 -29.32 61.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -79.16 -51.77 9.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -49.14 -22.99 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.559 HD22 ' N ' ' A' ' 18' ' ' VAL . 1.5 t30 -77.8 -63.55 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.568 HG13 ' CB ' ' A' ' 21' ' ' ALA . 88.8 t -56.0 -18.43 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -48.26 -24.32 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.79 -27.68 13.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' CB ' HG13 ' A' ' 18' ' ' VAL . . . -40.13 -67.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -145.15 -175.48 4.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -106.04 -169.94 1.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.563 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -127.58 53.34 0.8 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.509 1.13 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.984 ' HA ' HG21 ' A' ' 40' ' ' VAL . 0.3 OUTLIER -116.92 -24.47 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.56 -64.77 0.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.625 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -102.32 108.26 19.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.625 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.0 OUTLIER 154.23 -22.13 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -47.97 -16.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.3 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' N ' ' C ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -43.99 -24.74 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 110.312 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.741 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -88.0 20.43 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 29' ' ' GLU . 17.7 t30 65.86 64.48 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.669 ' CE ' HG12 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -77.99 132.09 68.3 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.437 1.086 . . . . 0.0 111.016 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.468 ' HG2' ' CB ' ' A' ' 39' ' ' ALA . 18.3 Cg_endo -74.96 176.41 9.94 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.484 1.781 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.643 ' O ' HG12 ' A' ' 35' ' ' VAL . 98.2 t -72.33 48.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.398 1.062 . . . . 0.0 109.315 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 37' ' ' ALA . 81.6 mt -146.84 165.25 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.494 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -105.66 -34.55 7.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 36' ' ' ILE . 15.7 tt0 -63.14 -18.26 63.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.468 ' CB ' ' HG2' ' A' ' 34' ' ' PRO . . . -80.56 -25.14 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.984 HG21 ' HA ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -71.15 -40.0 74.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.67 -37.02 19.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 38' ' ' GLU . 10.9 ttt-85 -66.3 -25.75 66.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 110.27 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -97.23 -77.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.29 102.16 2.42 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 110.274 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.568 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.5 Cg_endo -75.01 131.14 13.94 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.471 1.774 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -59.12 -55.42 35.19 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 110.352 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.641 ' NE2' HD22 ' A' ' 48' ' ' LEU . 33.3 p-80 -43.2 -46.28 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.591 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.641 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -47.35 -28.36 2.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.235 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.5 ptm180 -57.29 -41.14 79.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.469 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.5 p -100.85 -28.77 12.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 110.054 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.576 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -69.35 -30.26 68.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 34.7 t80 -94.71 -43.03 8.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.983 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -87.17 2.04 51.16 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.514 1.134 . . . . 0.0 110.259 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -33.13 -37.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 53' ' ' ARG . 16.4 mtt180 -40.47 -40.13 1.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.263 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tp -133.2 84.83 2.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -53.61 -33.59 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.66 152.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.4 m80 66.05 91.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.556 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 10.6 mtp-105 -152.63 107.56 3.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 tt -173.84 147.16 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -177.0 -76.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.547 1.155 . . . . 0.0 109.349 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 t 53.84 99.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 110.029 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.45 ' CG1' ' OE2' ' A' ' 29' ' ' GLU . 16.1 t -113.37 -9.61 12.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.03 -67.66 0.81 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.52 -72.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.6 m 53.08 100.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.028 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.2 172.85 15.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.389 1.056 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.39 72.5 0.24 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.406 1.066 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -177.27 3.35 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.513 1.796 . . . . 0.0 110.991 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -39.58 152.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -80.59 125.45 80.62 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.436 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.02 -174.8 2.07 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.567 1.825 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER 168.23 -56.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 65.99 118.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.379 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.373 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptp . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.537 0.208 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 2' ' ' LEU . 0.9 OUTLIER -57.9 165.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.244 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' O ' ' CB ' ' A' ' 4' ' ' ASN . 6.7 ptmt -159.1 131.37 6.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.25 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 3' ' ' LYS . 4.6 m-20 159.16 123.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -171.37 -171.1 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.58 99.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 7.4 tmtt? -174.27 -58.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 0.3 OUTLIER 163.48 77.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 50.17 45.55 25.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -114.23 1.84 14.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.248 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.8 m -63.65 -50.25 70.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.484 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -60.72 -27.17 67.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -34.18 76.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -80.08 -25.05 40.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -82.89 -55.72 4.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -42.61 -33.58 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.356 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -59.41 -68.93 0.23 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.18 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.6 t -51.55 -36.43 18.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.223 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.1 -17.39 10.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.38 -19.65 45.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.241 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.684 ' O ' ' HB2' ' A' ' 22' ' ' ALA . . . -73.57 -102.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 21' ' ' ALA . . . 162.84 -165.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 63.61 144.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.63 ' O ' HG11 ' A' ' 40' ' ' VAL . . . 173.1 49.81 0.05 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.169 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -111.14 -75.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.563 0.802 . . . . 0.0 109.366 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.442 ' O ' HG21 ' A' ' 64' ' ' VAL . . . -42.81 -53.84 4.41 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' ALA . 79.1 m-85 -36.37 -48.46 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 46' ' ' GLU . 4.9 tttt -146.6 67.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.226 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.659 ' OE2' HG12 ' A' ' 25' ' ' VAL . 1.5 mm-40 -66.06 -41.08 91.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.435 ' C ' ' N ' ' A' ' 32' ' ' ASN . 0.2 OUTLIER 37.7 -89.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.586 ' N ' ' O ' ' A' ' 29' ' ' GLU . 1.1 p90 -47.09 -19.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.593 1.183 . . . . 0.0 111.018 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 30' ' ' ARG . 19.6 t-20 65.25 60.47 0.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.158 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.757 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 2.8 mmt -82.96 164.71 45.16 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.611 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.3 Cg_endo -74.99 -177.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.5 t -63.39 63.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.611 ' N ' ' O ' ' A' ' 34' ' ' PRO . 1.0 OUTLIER -138.76 154.62 26.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 109.332 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 40' ' ' VAL . . . -107.38 -48.25 3.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.254 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -44.77 -42.19 7.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.757 ' HB1' ' SD ' ' A' ' 33' ' ' MET . . . -72.28 -34.17 68.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.169 ' CG2' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -57.64 -40.71 76.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.26 -37.37 53.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.19 -43.09 78.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.237 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 3.0 mm-40 -81.64 -76.39 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.449 1.093 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -158.68 116.17 1.7 Allowed Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.425 1.078 . . . . 0.0 110.356 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.623 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.5 Cg_endo -74.92 129.59 12.56 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.562 1.822 . . . . 0.0 111.002 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 49' ' ' ARG . 0.9 OUTLIER -58.29 -58.51 8.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.672 ' NE2' HD22 ' A' ' 48' ' ' LEU . 41.2 p-80 -41.15 -50.77 3.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.564 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.672 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -41.93 -29.52 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.523 ' CG ' ' N ' ' A' ' 50' ' ' SER . 5.1 ptm180 -57.68 -44.01 85.47 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.523 ' N ' ' CG ' ' A' ' 49' ' ' ARG . 1.1 m -101.15 -27.26 13.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.987 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.2 m-90 -68.63 -29.65 68.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 108.016 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 9.4 t80 -96.57 -43.17 7.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.782 HH21 ' HB3' ' A' ' 58' ' ' ALA . 0.8 OUTLIER -86.19 1.36 51.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' HA ' ' CG2' ' A' ' 57' ' ' ILE . 3.0 pt-20 -33.82 -36.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.573 1.171 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.9 ttt180 -49.11 -58.61 4.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.25 66.21 1.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.481 ' CG2' ' HA ' ' A' ' 54' ' ' GLU . 20.5 pt -49.25 -50.32 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.782 ' HB3' HH21 ' A' ' 53' ' ' ARG . . . 46.81 59.48 3.94 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -67.15 162.23 22.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.62 ' HB3' HD23 ' A' ' 61' ' ' LEU . 21.4 mtp180 -149.35 -89.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.073 . . . . 0.0 110.339 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' A' ' 60' ' ' ARG . 1.9 pt? -174.23 168.4 4.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 66.34 102.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 p -108.83 -73.34 0.69 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.022 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.533 HG12 ' N ' ' A' ' 65' ' ' ASN . 80.1 t -150.43 -99.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.533 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.9 OUTLIER -120.33 -52.81 2.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.442 ' HB2' ' CB ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -88.87 50.57 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.302 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 10.9 m -57.53 -164.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -39.69 142.23 0.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 mt -138.67 158.62 69.88 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 177.91 7.96 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.467 1.772 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -160.05 169.31 23.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.609 1.193 . . . . 0.0 111.074 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -169.42 96.66 0.5 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -54.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.448 1.762 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 4.0 ttmt 66.73 157.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.8 OUTLIER 86.16 123.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.8 tptp . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.261 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mpp? . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.4 0.143 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 72.25 -168.49 0.13 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.597 1.186 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.4 mttm 68.17 143.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.581 ' C ' HD13 ' A' ' 5' ' ' LEU . 11.8 p30 -92.46 137.13 32.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.581 HD13 ' C ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -178.11 179.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.22 -102.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 10' ' ' GLN . 8.6 ttmt -174.17 -57.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.575 1.172 . . . . 0.0 109.221 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' ' 12' ' ' GLU . 4.1 mt 46.65 52.27 11.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 11' ' ' THR . 5.5 m-20 47.74 34.56 3.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.469 ' O ' ' CG ' ' A' ' 10' ' ' GLN . 0.5 OUTLIER 39.1 28.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.385 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.48 ' CG2' ' HG2' ' A' ' 54' ' ' GLU . 2.0 m -109.91 -43.5 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.454 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.479 ' HB3' HD13 ' A' ' 8' ' ' LEU . 13.8 tt0 -78.65 -9.09 59.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.582 1.176 . . . . 0.0 110.273 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.58 -33.84 27.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.516 ' O ' HG23 ' A' ' 18' ' ' VAL . 9.1 t70 -69.03 -33.27 73.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.615 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.5 OUTLIER -81.28 -40.15 24.14 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -56.95 -16.27 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' C ' ' ND2' ' A' ' 17' ' ' ASN . 1.1 t30 -90.85 -51.21 5.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.792 HG13 ' HB3' ' A' ' 21' ' ' ALA . 42.0 t -61.84 -14.13 10.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' VAL . 1.3 t70 -38.42 -31.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -91.22 -46.71 7.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.592 1.182 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.792 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -61.7 -13.84 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.426 1.079 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -38.47 141.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.43 -155.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' C ' HG11 ' A' ' 40' ' ' VAL . . . -146.81 -82.37 0.04 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.5 1.125 . . . . 0.0 110.965 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.041 HG22 HG21 ' A' ' 40' ' ' VAL . 1.8 t -110.78 -20.85 5.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.57 0.806 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -35.99 -57.04 0.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -124.15 48.81 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.419 1.074 . . . . 0.0 111.04 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.56 ' O ' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -141.79 40.21 1.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.345 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 32' ' ' ASN . 0.7 OUTLIER -86.03 1.68 49.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' C ' ' N ' ' A' ' 32' ' ' ASN . 0.0 OUTLIER -35.45 -85.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.667 ' OH ' HG22 ' A' ' 40' ' ' VAL . 1.2 p90 -46.17 -20.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 29' ' ' GLU . 19.4 t30 63.78 61.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 0.0 109.339 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.43 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -84.07 173.13 7.75 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.945 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.01 -178.02 3.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 44.5 t -66.7 59.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.572 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -135.73 154.23 34.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 109.321 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.22 -36.71 6.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -59.57 -16.62 26.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.572 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -100.52 -4.63 28.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.041 HG21 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -84.56 -37.16 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.238 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.4 -37.01 22.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.359 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.518 ' C ' ' CD ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -64.98 -33.74 76.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.58 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 54.3 mm-40 -74.82 -78.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.434 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -161.04 97.84 1.33 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.245 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.82 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.06 132.48 15.39 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.529 1.805 . . . . 0.0 110.944 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 0.3 OUTLIER -59.18 -37.44 77.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.334 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.663 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 10.4 p-80 -60.5 -18.92 55.02 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.506 1.129 . . . . 0.0 109.604 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.925 HD12 ' CE2' ' A' ' 52' ' ' PHE . 1.2 mm? -86.16 -60.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -54.87 -31.38 59.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 49' ' ' ARG . 2.0 t -77.92 -38.08 46.38 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.634 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.2 m-90 -81.49 -2.89 51.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 107.982 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.925 ' CE2' HD12 ' A' ' 48' ' ' LEU . 1.1 m-85 -110.02 -44.6 3.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 55' ' ' ARG . 0.1 OUTLIER -90.9 0.47 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' HG2' ' CG2' ' A' ' 11' ' ' THR . 6.8 pm0 -36.52 -33.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 53' ' ' ARG . 34.9 mtm-85 -53.01 -53.98 42.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 110.308 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -119.77 65.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 109.327 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 3.8 tp -58.75 -39.21 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 57.38 -172.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -57.78 111.17 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.619 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 53.2 ptt85 -95.35 138.71 32.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.352 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 0.4 OUTLIER -134.73 174.62 10.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 61' ' ' LEU . . . -179.98 103.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.29 73.16 1.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.52 1.138 . . . . 0.0 109.924 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.654 HG12 ' N ' ' A' ' 65' ' ' ASN . 82.4 t -125.88 -106.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.654 ' N ' HG12 ' A' ' 64' ' ' VAL . 6.0 m-20 -69.78 -74.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.486 ' CB ' ' O ' ' A' ' 65' ' ' ASN . 0.4 OUTLIER 87.12 -48.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.8 m 63.54 -177.1 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.549 1.155 . . . . 0.0 110.023 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -112.51 143.2 44.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.91 131.56 94.98 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -165.65 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.525 1.803 . . . . 0.0 110.99 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.21 -59.56 1.74 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 61.12 77.16 0.37 Allowed Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -179.9 5.44 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.73 147.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -179.6 106.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 tttt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.48 0.181 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 178.07 117.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.49 -168.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 179.22 87.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.597 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -174.95 65.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.265 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' A' ' 5' ' ' LEU . . . 169.82 106.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -84.03 -52.93 5.91 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.413 1.071 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.5 mt 51.42 96.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 10' ' ' GLN . 2.5 t70 -96.1 35.48 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.415 ' CB ' ' O ' ' A' ' 9' ' ' ASP . 0.8 OUTLIER 80.8 -50.41 0.31 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 110.33 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.52 ' CG2' ' CD ' ' A' ' 54' ' ' GLU . 6.4 m -59.47 -43.03 93.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' O ' ' HB ' ' A' ' 16' ' ' VAL . 15.0 tt0 -73.0 -8.15 54.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.411 1.069 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -83.8 -26.09 29.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 13' ' ' MET . 39.6 t0 -79.07 -29.75 43.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.633 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.15 -57.14 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.428 ' C ' ' O ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -38.03 -36.9 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 19' ' ' ASP . 5.2 t-20 -63.14 -68.62 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.628 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 49.1 t -45.1 -27.26 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 17' ' ' ASN . 3.0 t70 -53.01 -42.71 65.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.574 1.171 . . . . 0.0 109.278 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.34 -22.88 61.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -63.05 -72.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.609 ' O ' ' HB2' ' A' ' 23' ' ' ALA . . . 171.78 136.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 22' ' ' ALA . . . 169.22 82.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.576 1.173 . . . . 0.0 109.241 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.477 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -142.21 -79.46 0.05 OUTLIER Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.885 HG13 HG21 ' A' ' 40' ' ' VAL . 2.1 t -109.12 -20.81 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.57 -29.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.642 ' CE1' HG23 ' A' ' 64' ' ' VAL . 57.3 t80 -140.69 174.58 10.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.552 ' N ' ' CD2' ' A' ' 27' ' ' PHE . 0.1 OUTLIER 88.44 -24.28 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.7 ' CD ' HG11 ' A' ' 64' ' ' VAL . 0.1 OUTLIER -37.99 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.275 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -49.08 -22.29 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 110.32 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.757 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -85.75 15.8 4.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.471 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 12.9 t-20 65.34 63.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.616 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -85.22 123.65 72.99 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.576 1.172 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.432 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.02 177.01 9.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.456 1.766 . . . . 0.0 111.037 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.0 m -68.53 55.71 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.579 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.8 OUTLIER -145.37 158.13 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.8 -37.18 5.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.417 1.073 . . . . 0.0 109.237 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.76 -13.34 22.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 110.311 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.579 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -99.07 -18.41 17.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.885 HG21 HG13 ' A' ' 25' ' ' VAL . 1.2 t -71.58 -38.02 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.65 -36.32 18.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 110.343 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.9 ttp85 -67.9 -32.04 72.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -80.7 -75.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.349 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.37 108.06 5.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.945 ' HB2' HD23 ' A' ' 48' ' ' LEU . 18.4 Cg_endo -75.06 79.57 2.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER -28.17 -58.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.662 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 34.9 p-80 -45.78 -49.29 15.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.62 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.945 HD23 ' HB2' ' A' ' 45' ' ' PRO . 3.5 mm? -45.4 -29.88 1.2 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.525 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -55.12 -40.71 70.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 49.9 m -104.61 -25.86 12.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.983 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.633 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.1 m-90 -73.62 -24.5 60.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 108.061 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CB ' ' O ' ' A' ' 48' ' ' LEU . 14.9 t80 -105.47 -39.34 6.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 49' ' ' ARG . 0.6 OUTLIER -90.95 1.3 57.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.52 ' CD ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -33.56 -36.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.252 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 53' ' ' ARG . 42.8 mtt180 -42.53 -64.66 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -142.72 78.2 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.31 -29.16 2.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -41.37 109.29 0.12 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -149.32 -83.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.539 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.8 mtp180 -176.55 133.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.341 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.621 ' C ' HD13 ' A' ' 61' ' ' LEU . 1.9 tm? -148.22 112.81 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.235 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.417 ' N ' HD13 ' A' ' 61' ' ' LEU . . . -62.99 -99.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.393 1.058 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 62' ' ' ALA . 3.2 p 165.3 124.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.028 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.7 HG11 ' CD ' ' A' ' 29' ' ' GLU . 74.6 t -76.02 -101.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.246 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.582 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.6 OUTLIER -79.26 -71.21 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 tp 70.1 78.48 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.5 m -115.45 119.23 35.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.002 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -161.39 137.6 8.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -178.18 89.81 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.221 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.03 177.76 8.17 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.513 1.796 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -166.18 -176.45 3.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 67.24 85.43 0.15 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.509 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -74.99 -40.69 0.82 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.478 1.778 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.509 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER 163.63 -78.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 57.63 79.75 0.19 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 ptt? . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.507 0.194 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 11.8 mt -67.08 162.75 21.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' O ' ' CG ' ' A' ' 4' ' ' ASN . 0.0 OUTLIER -117.21 135.61 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 3' ' ' LYS . 4.0 m120 -163.63 149.39 11.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.497 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 3.9 mm? -46.74 170.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 5' ' ' LEU . . . 71.63 75.82 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -73.83 -26.4 60.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tp 65.28 101.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 178.04 45.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.249 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.88 -17.8 61.0 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.586 1.179 . . . . 0.0 110.323 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.424 HG22 ' HB2' ' A' ' 54' ' ' GLU . 88.7 m -67.7 -52.27 39.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.386 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.452 ' CB ' ' OE1' ' A' ' 54' ' ' GLU . 9.8 tt0 -57.33 -28.73 63.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -34.66 73.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -83.84 -25.87 29.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.595 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -80.18 -39.85 28.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 109.292 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -60.7 -14.74 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.69 HD22 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -87.89 -62.55 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.69 ' N ' HD22 ' A' ' 17' ' ' ASN . 25.1 t -59.52 -15.23 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -55.35 -18.38 6.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -105.03 -21.19 13.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.413 1.07 . . . . 0.0 109.243 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -39.33 -89.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.52 -166.36 1.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.107 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.7 -101.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.168 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.484 ' O ' ' CG1' ' A' ' 40' ' ' VAL . . . -176.83 50.28 0.11 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.483 1.114 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.903 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.5 OUTLIER -116.07 -72.42 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.439 0.729 . . . . 0.0 109.222 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -44.05 -42.42 6.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.507 ' HD1' ' HB1' ' A' ' 62' ' ' ALA . 22.9 m-85 -57.11 -37.37 71.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' VAL . 3.2 tptt -178.65 124.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.592 ' O ' ' CG ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -104.62 -46.14 4.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.08 -79.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.656 ' CD2' ' CB ' ' A' ' 43' ' ' GLU . 1.4 p90 -53.16 -17.35 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 111.058 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 62.05 61.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.765 ' SD ' ' HB1' ' A' ' 39' ' ' ALA . 3.0 mmt -84.47 164.65 42.01 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.593 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.95 -177.76 3.68 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.591 ' O ' HG23 ' A' ' 35' ' ' VAL . 32.2 m -61.71 69.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.623 ' CG2' ' H ' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -145.78 156.2 12.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.431 ' O ' ' HB ' ' A' ' 40' ' ' VAL . . . -109.84 -40.1 4.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.32 -49.55 69.42 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.765 ' HB1' ' SD ' ' A' ' 33' ' ' MET . . . -66.49 -25.15 66.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.903 ' CG2' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -67.93 -41.16 84.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.441 ' CG ' ' HG3' ' A' ' 45' ' ' PRO . 0.9 OUTLIER -74.42 -35.54 63.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 110.233 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -58.97 -36.22 74.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.656 ' CB ' ' CD2' ' A' ' 31' ' ' TYR . 19.9 mm-40 -81.83 -80.69 0.15 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.563 1.164 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.99 97.76 0.75 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.598 1.186 . . . . 0.0 110.307 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.624 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.6 Cg_endo -74.88 130.7 13.66 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.47 1.774 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 4.4 tm-20 -61.78 -41.83 98.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.692 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 30.7 p-80 -58.22 -15.82 11.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.613 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.624 HD23 ' HG2' ' A' ' 45' ' ' PRO . 2.3 mm? -87.88 -54.88 4.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.0 ptm180 -47.43 -36.54 10.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 54' ' ' GLU . 2.9 t -82.16 -37.49 26.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.692 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.0 OUTLIER -72.89 -12.02 60.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 108.021 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -98.8 -36.18 9.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.496 ' O ' ' CG ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -99.18 -0.93 40.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -47.74 -64.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 53' ' ' ARG . 0.2 OUTLIER 34.54 -94.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 110.304 179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 54' ' ' GLU . 1.4 tp -144.7 48.03 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.251 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.0 tt -96.57 -39.49 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.254 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 65.6 173.29 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.1 m170 68.19 175.03 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.626 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.4 ' N ' ' CD ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -171.05 165.68 7.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.3 mt -141.68 148.59 39.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.507 ' HB1' ' HD1' ' A' ' 27' ' ' PHE . . . -173.69 100.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.3 p -163.09 52.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.011 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.4 t -104.84 -10.46 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.368 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -120.51 -67.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER 73.34 58.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 m -53.8 166.13 0.37 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.948 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -165.57 96.86 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.87 91.51 2.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 143.18 28.85 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -116.12 168.92 9.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 111.031 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -131.81 128.11 21.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.2 Cg_endo -75.03 104.06 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.528 1.804 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -39.01 140.48 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER 168.09 103.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.369 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.524 0.202 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.7 tp -163.29 134.7 4.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 5' ' ' LEU . 3.4 pttt -140.25 150.06 43.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -65.77 77.54 0.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.652 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -174.22 117.22 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' A' ' 5' ' ' LEU . . . 165.8 99.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.673 ' O ' ' N ' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -74.89 -27.29 60.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.17 61.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.393 1.058 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.673 ' N ' ' O ' ' A' ' 7' ' ' LYS . 40.3 p30 -162.89 40.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 -89.71 3.8 51.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.493 HG21 ' O ' ' A' ' 54' ' ' GLU . 25.9 m -53.68 -23.62 12.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.401 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -72.67 -26.76 61.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.0 ttp -61.84 -40.22 94.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.36 -27.31 59.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.379 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.583 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -79.61 -45.47 19.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -50.52 -22.84 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' C ' ' N ' ' A' ' 19' ' ' ASP . 1.8 t-20 -85.52 -72.06 0.5 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.49 ' HA ' ' HB3' ' A' ' 21' ' ' ALA . 52.6 t -44.44 -26.93 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.552 1.157 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.42 ' N ' ' C ' ' A' ' 17' ' ' ASN . 3.4 t70 -39.73 -61.97 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 21' ' ' ALA . 3.9 pp -69.5 -44.07 71.83 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB3' ' HA ' ' A' ' 18' ' ' VAL . . . -34.06 -74.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.82 166.56 10.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -98.95 -88.53 0.33 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.526 ' O ' ' CB ' ' A' ' 28' ' ' LYS . . . 165.29 42.6 0.02 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.004 HG13 ' CG2' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -118.8 -37.1 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.523 0.778 . . . . 0.0 109.282 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -36.86 -51.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.654 ' CE2' HD21 ' A' ' 61' ' ' LEU . 7.6 p90 -131.61 59.64 1.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 0.0 OUTLIER -139.91 25.01 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.667 ' OE1' HG11 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -96.22 0.92 51.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -58.58 -26.45 63.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.602 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 6.2 p90 -99.65 21.65 12.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.432 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 16.2 t-20 63.65 62.48 0.92 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.479 1.112 . . . . 0.0 109.22 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.599 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.82 134.37 60.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.424 ' O ' ' SD ' ' A' ' 33' ' ' MET . 18.3 Cg_endo -75.03 172.69 15.87 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.476 1.777 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.477 ' O ' HG12 ' A' ' 35' ' ' VAL . 54.7 t -70.42 54.23 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.63 HG22 ' H ' ' A' ' 39' ' ' ALA . 71.3 mt -145.02 158.53 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.94 -39.08 9.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -61.24 -48.01 83.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.582 1.176 . . . . 0.0 110.259 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.63 ' H ' HG22 ' A' ' 36' ' ' ILE . . . -55.25 -24.85 30.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.409 1.068 . . . . 0.0 109.378 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.004 ' CG2' HG13 ' A' ' 25' ' ' VAL . 1.1 t -75.45 -32.42 25.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' A' ' 45' ' ' PRO . 3.5 mt-10 -88.26 -36.28 16.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 2.4 ptm180 -63.15 -29.7 71.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.591 ' OE1' ' CD1' ' A' ' 31' ' ' TYR . 2.6 mm-40 -88.01 -81.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.72 94.54 1.67 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.572 1.17 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.67 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.01 131.32 14.15 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.595 ' CD ' ' CZ ' ' A' ' 27' ' ' PHE . 2.4 pp20? -61.87 -39.94 93.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.709 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 16.1 p-80 -59.68 -15.23 18.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.574 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.67 HD23 ' HG2' ' A' ' 45' ' ' PRO . 2.0 mm? -87.77 -47.96 8.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.433 1.083 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.7 ptm180 -51.54 -36.97 47.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 2.7 m -83.95 -34.41 24.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.709 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.0 OUTLIER -73.67 -9.87 59.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 108.058 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.415 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 1.5 m-85 -103.96 -38.19 7.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ARG . 2.0 ttp180 -97.68 1.0 48.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.493 ' O ' HG21 ' A' ' 11' ' ' THR . 5.4 pt-20 -36.37 -33.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ARG . 7.2 ttp180 -44.09 -52.15 7.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.347 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -164.52 79.24 0.37 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 58' ' ' ALA . 13.2 tt -96.87 -50.52 11.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.438 ' N ' HG23 ' A' ' 57' ' ' ILE . . . 48.74 -165.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.567 ' O ' ' C ' ' A' ' 60' ' ' ARG . 0.5 OUTLIER 57.21 39.12 28.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.604 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.567 ' C ' ' O ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER 23.98 -95.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.654 HD21 ' CE2' ' A' ' 27' ' ' PHE . 0.4 OUTLIER -158.03 -169.64 2.88 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.551 1.157 . . . . 0.0 109.352 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -98.77 -105.64 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.7 t 172.9 120.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.557 1.161 . . . . 0.0 109.934 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.667 HG11 ' OE1' ' A' ' 29' ' ' GLU . 77.2 t -131.54 -104.04 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.142 . . . . 0.0 109.35 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.631 ' N ' HG12 ' A' ' 64' ' ' VAL . 1.8 p-10 -40.63 -57.48 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' A' ' 65' ' ' ASN . 1.4 tp 85.63 -48.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.4 m 55.89 -92.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.918 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.91 161.52 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.125 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD23 ' H ' ' A' ' 69' ' ' LEU . 1.6 pt? -108.2 143.38 27.3 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.08 121.62 6.66 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.544 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 10.9 p90 -124.31 123.68 40.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -123.97 101.63 35.45 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.315 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.94 148.95 36.26 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.481 1.779 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 172.03 167.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 175.33 114.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.2 mtt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.498 0.19 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -156.01 -85.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.38 -76.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t30 174.01 150.71 0.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.833 HD12 ' N ' ' A' ' 6' ' ' ALA . 4.3 pp -114.27 -58.67 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.833 ' N ' HD12 ' A' ' 5' ' ' LEU . . . 40.19 78.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -34.03 61.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' O ' ' CB ' ' A' ' 9' ' ' ASP . 2.3 mt 52.65 95.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER 159.09 57.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -97.39 -18.63 18.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.37 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.678 HG22 ' OE1' ' A' ' 54' ' ' GLU . 2.1 m -70.5 -62.42 1.4 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.402 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -58.85 -22.43 58.94 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -35.46 78.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -72.62 -27.83 62.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.611 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -86.42 -38.88 16.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 109.323 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -59.33 -15.76 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.695 HD22 ' N ' ' A' ' 18' ' ' VAL . 0.9 OUTLIER -75.67 -62.65 1.51 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.263 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.695 ' N ' HD22 ' A' ' 17' ' ' ASN . 78.1 t -54.81 -20.21 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -47.3 -49.66 23.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 109.248 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.22 -28.22 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.677 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -63.26 -56.02 19.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.672 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . 82.19 -69.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 65.15 153.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.485 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -137.34 -84.02 0.13 Allowed Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.903 HG13 HG21 ' A' ' 40' ' ' VAL . 1.8 t -106.47 -43.96 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.632 0.842 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -38.13 -31.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.284 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.45 ' N ' ' O ' ' A' ' 25' ' ' VAL . 31.8 t80 -131.55 169.77 15.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' CE ' ' HA ' ' A' ' 45' ' ' PRO . 0.0 OUTLIER 75.5 1.51 3.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' HB3' ' HG2' ' A' ' 33' ' ' MET . 0.1 OUTLIER -65.87 -3.63 5.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -14.44 9.02 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.11 . . . . 0.0 110.343 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.714 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -91.39 12.33 20.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.451 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 20.7 t30 64.66 65.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.17 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.603 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -78.05 126.73 83.28 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.569 1.168 . . . . 0.0 111.049 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.5 Cg_endo -74.93 177.7 8.22 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 35' ' ' VAL . 50.2 t -66.59 56.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.557 HG22 ' HB3' ' A' ' 39' ' ' ALA . 1.0 OUTLIER -150.28 159.49 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -111.77 -35.88 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -66.23 -8.91 27.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.557 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -105.67 -1.6 24.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.903 HG21 HG13 ' A' ' 25' ' ' VAL . 1.2 t -84.02 -37.22 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.6 -30.88 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.277 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -24.42 60.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.243 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.579 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 8.6 mm-40 -73.62 -81.57 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.74 120.68 0.94 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.92 ' HB2' HD23 ' A' ' 48' ' ' LEU . 18.0 Cg_endo -75.03 79.07 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -31.94 -36.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 110.265 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.611 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 8.4 p-80 -55.11 -12.19 0.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.596 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.92 HD23 ' HB2' ' A' ' 45' ' ' PRO . 3.5 mm? -82.87 -45.82 13.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 4.6 ptm180 -49.98 -37.1 30.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.7 m -83.25 -33.95 25.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.983 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.0 OUTLIER -76.73 -11.14 59.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 108.007 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' CE2' HD12 ' A' ' 48' ' ' LEU . 2.0 m-85 -100.6 -39.28 7.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.957 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -101.41 0.26 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.411 1.07 . . . . 0.0 110.4 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.678 ' OE1' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -34.73 -83.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.246 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.596 ' HA ' HG21 ' A' ' 11' ' ' THR . 3.4 ttm180 39.85 28.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER 76.67 52.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.623 HG22 ' HA ' ' A' ' 54' ' ' GLU . 1.4 tt -107.82 -24.74 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.63 153.53 13.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -172.96 68.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.617 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.49 ' O ' HD22 ' A' ' 61' ' ' LEU . 0.2 OUTLIER 65.92 139.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.242 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.49 HD22 ' O ' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -159.04 121.25 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.224 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -164.76 96.31 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.43 -42.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 65' ' ' ASN . 69.9 t -41.72 -90.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.406 ' N ' HG12 ' A' ' 64' ' ' VAL . 9.4 p-10 -83.89 -53.38 5.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.2 tp -176.67 -75.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.6 m 64.97 93.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.053 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -129.25 178.44 6.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.358 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.94 161.03 66.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 146.26 32.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -101.6 171.88 7.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -51.95 115.09 6.11 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.155 . . . . 0.0 110.252 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.513 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -74.92 -45.49 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 1.2 mmtp 162.44 162.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.353 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.412 ' CB ' ' O ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER 81.72 106.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.557 0.217 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mt -149.87 175.42 11.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.378 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -105.26 104.3 14.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -64.94 149.24 50.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.8 mt -42.28 162.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.132 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -134.39 -59.75 0.81 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.408 ' O ' ' CB ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -176.98 -50.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.676 HD13 HD11 ' A' ' 56' ' ' LEU . 0.2 OUTLIER 80.89 72.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.492 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 0.7 OUTLIER 156.64 57.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -117.78 13.19 14.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.9 m -72.09 -35.71 69.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.45 1.094 . . . . 0.0 110.399 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -61.49 -25.75 67.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mmm -62.4 -35.69 79.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -78.65 -29.68 45.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.354 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.578 ' HG3' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -77.25 -38.31 51.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -11.72 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.249 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -97.62 -57.0 2.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.7 t -57.89 -16.07 5.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -58.16 -16.78 14.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -100.03 -4.33 30.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 20' ' ' LEU . . . -44.68 -94.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -165.93 76.98 0.24 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 40.68 -154.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.573 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -143.64 67.12 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.117 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.916 ' HA ' HG21 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -120.67 -40.69 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.76 -71.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 61' ' ' LEU . 0.3 OUTLIER -97.38 47.52 1.03 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.107 . . . . 0.0 110.992 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 24' ' ' GLY . 1.1 tpmp? -129.5 4.89 5.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.081 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.446 ' HA ' ' HB3' ' A' ' 33' ' ' MET . 0.2 OUTLIER -75.59 2.33 12.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.268 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -21.84 3.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.285 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.682 ' CD2' ' O ' ' A' ' 31' ' ' TYR . 1.3 p90 -108.71 24.5 12.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.573 1.171 . . . . 0.0 111.017 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.445 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 16.3 t-20 64.61 65.38 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 1.004 ' SD ' HG23 ' A' ' 40' ' ' VAL . 7.1 tpt -83.44 124.78 75.34 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.557 ' HD2' ' HE3' ' A' ' 33' ' ' MET . 18.2 Cg_endo -74.99 178.7 6.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.53 1.805 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.4 m -68.1 59.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.679 ' O ' ' HE2' ' A' ' 33' ' ' MET . 49.3 mt -145.12 161.84 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' N ' ' CG2' ' A' ' 36' ' ' ILE . . . -120.95 -17.21 7.91 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.37 1.16 56.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.751 ' HB3' ' CE ' ' A' ' 33' ' ' MET . . . -106.22 -14.26 15.18 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.436 1.085 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.004 HG23 ' SD ' ' A' ' 33' ' ' MET . 0.8 OUTLIER -76.38 -37.24 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.49 -37.17 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.509 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 5.2 ptm180 -62.29 -33.06 73.91 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.46 1.1 . . . . 0.0 110.293 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.511 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 18.9 mm-40 -86.99 -80.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -162.4 98.08 1.14 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.649 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -74.93 132.54 15.63 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.502 1.79 . . . . 0.0 111.048 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 0.4 OUTLIER -60.4 -46.62 89.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.337 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.675 ' O ' ' CE3' ' A' ' 51' ' ' TRP . 32.4 p-80 -53.52 -18.22 2.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.585 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.649 HD23 ' HG2' ' A' ' 45' ' ' PRO . 1.8 mm? -86.63 -59.27 2.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 3.4 ptm180 -50.58 -37.3 39.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLU . 3.7 t -75.64 -39.79 57.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.986 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.675 ' CE3' ' O ' ' A' ' 47' ' ' HIS . 1.1 m-90 -75.38 -10.76 59.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 107.975 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.597 ' CE1' HD12 ' A' ' 48' ' ' LEU . 2.4 m-85 -100.66 -41.1 7.06 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 111.099 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.538 ' O ' ' CG ' ' A' ' 53' ' ' ARG . 9.0 ttt180 -97.69 -1.99 42.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.269 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.898 ' O ' HG23 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -34.8 -92.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.547 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER 25.78 88.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 110.223 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.676 HD11 HD13 ' A' ' 8' ' ' LEU . 1.1 mt 38.37 87.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.37 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.898 HG23 ' O ' ' A' ' 54' ' ' GLU . 1.1 pt -108.65 -52.75 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 54.16 76.86 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.39 168.98 18.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.53 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -133.75 174.71 10.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.396 1.06 . . . . 0.0 110.337 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.571 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . 4.5 mp -108.85 -176.68 3.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 63' ' ' SER . . . -104.85 -76.22 0.61 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.433 ' CB ' ' O ' ' A' ' 62' ' ' ALA . 2.3 p 164.46 70.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.528 ' HB ' ' CG ' ' A' ' 27' ' ' PHE . 2.8 t -97.9 -10.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.95 -67.6 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.584 1.178 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 tt -171.81 -55.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.2 m 62.07 138.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mtm180 -165.6 156.73 13.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . 0.9 OUTLIER -68.86 146.58 97.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 69' ' ' LEU . 18.3 Cg_endo -75.02 178.07 7.76 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.492 1.785 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.77 138.14 43.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.34 111.41 3.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.1 Cg_endo -74.9 -2.16 12.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.416 1.746 . . . . 0.0 110.991 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -38.6 139.42 0.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER 168.85 112.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.417 1.073 . . . . 0.0 109.265 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.544 0.211 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -167.97 178.39 5.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.25 132.35 34.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.75 150.79 26.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.23 112.57 16.59 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -179.21 86.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.578 ' O ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -86.89 -51.38 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 7' ' ' LYS . 1.3 tp 173.1 107.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.122 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 60.98 40.78 14.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.36 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.519 ' O ' ' CG ' ' A' ' 13' ' ' MET . 1.1 tt0 -74.4 -2.66 26.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.517 HG21 ' OE2' ' A' ' 54' ' ' GLU . 16.4 m -95.32 -25.57 16.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.395 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -81.34 -15.03 56.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.406 1.067 . . . . 0.0 110.275 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.519 ' CG ' ' O ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER -74.38 -31.02 62.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -74.57 -30.04 61.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.587 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -81.11 -52.72 7.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.409 ' O ' ' CB ' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -41.18 -32.29 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 15' ' ' LYS . 6.1 t-20 -66.88 -66.19 0.59 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.693 HG13 ' HB3' ' A' ' 21' ' ' ALA . 40.0 t -57.88 -16.74 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 16' ' ' VAL . 17.8 t70 -40.72 -29.87 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.441 ' N ' ' C ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -82.11 -48.25 11.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.693 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -59.83 -16.4 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 21' ' ' ALA . . . -39.12 155.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.526 ' HB3' ' OE1' ' A' ' 46' ' ' GLU . . . -98.37 -158.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -142.22 -85.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.039 HG22 HG21 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -109.25 -14.43 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.496 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -32.81 -83.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.483 ' O ' ' CB ' ' A' ' 28' ' ' LYS . 4.1 p90 -124.34 160.25 28.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 27' ' ' PHE . 0.1 OUTLIER 87.32 7.11 0.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.337 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.594 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -38.01 -48.12 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 110.244 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.411 ' HD2' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER 59.57 -71.98 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 110.268 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.616 ' CD1' ' HB2' ' A' ' 33' ' ' MET . 2.7 p90 -67.03 -18.01 65.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 22.1 t30 62.15 64.74 0.94 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 109.345 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.616 ' HB2' ' CD1' ' A' ' 31' ' ' TYR . 4.7 tpp -80.05 138.69 53.02 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.607 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.01 -174.09 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.526 1.803 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 35' ' ' VAL . 0.4 OUTLIER -41.68 89.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.431 1.082 . . . . 0.0 109.345 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.607 ' N ' ' O ' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -179.17 149.73 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -120.45 -18.88 7.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.413 1.071 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.65 -48.26 55.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.08 . . . . 0.0 110.306 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.489 ' H ' ' CG2' ' A' ' 36' ' ' ILE . . . -74.49 -2.87 27.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.039 HG21 HG22 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -80.24 -49.5 18.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.242 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.55 -33.78 47.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -32.66 73.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.558 ' HB3' ' CD2' ' A' ' 31' ' ' TYR . 13.2 mm-40 -75.47 -77.92 0.12 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.36 116.14 2.73 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 110.207 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.618 ' HB2' ' CE1' ' A' ' 47' ' ' HIS . 18.2 Cg_endo -75.02 132.82 15.82 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.64 ' O ' ' N ' ' A' ' 49' ' ' ARG . 1.1 mp0 -58.02 -65.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.692 ' NE2' HD22 ' A' ' 48' ' ' LEU . 43.1 p-80 -36.3 -52.49 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.594 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD22 ' NE2' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -41.65 -28.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.64 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.5 ptm180 -59.65 -43.76 93.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 54' ' ' GLU . 2.9 m -102.65 -22.79 13.91 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 109.978 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.587 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.0 OUTLIER -71.56 -20.66 61.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 108.006 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -113.98 -30.27 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.072 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.501 ' O ' ' C ' ' A' ' 54' ' ' GLU . 0.4 OUTLIER -103.13 2.43 34.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.389 1.056 . . . . 0.0 110.261 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.575 ' O ' HG22 ' A' ' 57' ' ' ILE . 0.0 OUTLIER -30.69 -40.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.304 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.524 ' C ' ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER 29.02 -142.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.28 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.6 45.01 1.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.724 HG23 ' H ' ' A' ' 58' ' ' ALA . 2.8 tt -40.61 -74.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.724 ' H ' HG23 ' A' ' 57' ' ' ILE . . . 84.79 -48.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -162.63 141.02 8.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.617 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -179.26 174.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -170.61 151.69 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -158.05 -63.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.371 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 t 62.4 120.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.465 1.103 . . . . 0.0 110.03 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.682 HG12 ' N ' ' A' ' 65' ' ' ASN . 70.2 t -95.71 -105.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.682 ' N ' HG12 ' A' ' 64' ' ' VAL . 1.3 t-20 -49.93 -69.2 0.12 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.7 tp -173.82 92.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.443 1.09 . . . . 0.0 109.327 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.4 m -78.81 169.22 18.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.995 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.63 127.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.2 pp -81.77 154.02 70.48 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 134.81 18.28 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.503 1.791 . . . . 0.0 110.976 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -108.83 135.83 49.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.1 112.08 54.56 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -75.05 120.08 5.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.505 1.792 . . . . 0.0 110.946 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -38.85 144.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 175.95 90.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mpp? . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.503 0.192 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tp 72.59 -75.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.248 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 37.6 mttm 49.01 95.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.247 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.873 ' O ' HD22 ' A' ' 5' ' ' LEU . 10.7 p-10 -173.03 106.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.873 HD22 ' O ' ' A' ' 4' ' ' ASN . 0.8 OUTLIER -147.26 136.79 22.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -141.69 58.5 1.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.434 ' CE ' ' HG3' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -73.87 -25.17 59.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER 60.0 62.28 1.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.505 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 1.3 m-20 155.94 63.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.434 ' HG3' ' CE ' ' A' ' 7' ' ' LYS . 0.6 OUTLIER -111.08 -0.45 16.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 110.333 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.99 HG21 ' O ' ' A' ' 54' ' ' GLU . 29.7 m -83.86 -47.91 10.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.427 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -61.13 -26.31 67.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.363 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.88 -34.23 75.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -80.24 -25.89 39.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -82.17 -40.09 22.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.8 -18.22 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -75.38 -70.35 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' ALA . 72.2 t -50.81 -32.46 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -40.62 -51.97 2.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 21' ' ' ALA . 2.8 pp -46.43 -45.39 18.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' VAL . . . -70.97 -65.63 0.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 64.73 123.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -177.62 67.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.506 ' O ' HG11 ' A' ' 40' ' ' VAL . . . -115.55 55.25 0.55 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.044 ' HA ' HG21 ' A' ' 40' ' ' VAL . 0.1 OUTLIER -122.87 -78.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.4 0.706 . . . . 0.0 109.317 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.62 -46.27 79.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.584 ' CZ ' ' HA ' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -89.94 32.8 0.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 27' ' ' PHE . 0.5 OUTLIER -165.63 27.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.776 ' HB2' HG11 ' A' ' 64' ' ' VAL . 5.9 mt-10 -35.08 -48.76 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 61.28 -69.48 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.445 1.09 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 43' ' ' GLU . 47.9 p90 -110.26 32.32 5.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.434 1.084 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.409 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 19.2 t30 54.58 62.78 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.632 ' HG2' HG23 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -76.27 149.71 82.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 111.015 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.2 Cg_endo -75.0 178.12 7.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.474 1.776 . . . . 0.0 111.008 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 m -68.14 60.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.549 HG22 ' H ' ' A' ' 39' ' ' ALA . 56.9 mt -142.31 151.77 18.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.644 ' HA ' HG11 ' A' ' 25' ' ' VAL . . . -103.24 -26.52 12.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -83.14 1.68 39.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.351 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.549 ' H ' HG22 ' A' ' 36' ' ' ILE . . . -100.54 -41.36 7.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.044 HG21 ' HA ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -56.02 -37.43 48.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -84.05 -38.25 21.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -59.29 -32.39 70.0 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.515 1.134 . . . . 0.0 110.251 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.613 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 2.5 mm-40 -94.42 -80.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.318 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.94 110.81 3.81 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 110.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.58 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.0 Cg_endo -74.99 80.04 2.52 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 49' ' ' ARG . 45.7 tt0 -45.74 -25.22 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.787 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 47.6 p-80 -74.3 -21.55 59.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.607 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.787 ' CD2' ' CD2' ' A' ' 47' ' ' HIS . 0.1 OUTLIER -77.82 -47.97 17.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 50' ' ' SER . 2.8 ptm180 -41.86 -35.12 0.76 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.466 ' N ' ' HG2' ' A' ' 49' ' ' ARG . 0.9 OUTLIER -82.41 -40.13 21.69 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.566 1.166 . . . . 0.0 109.962 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 15' ' ' LYS . 1.3 m-90 -79.34 0.78 27.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 108.03 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.545 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.8 m-30 -114.32 -45.94 3.01 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.492 1.12 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.5 ttp180 -89.62 0.28 57.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.99 ' O ' HG21 ' A' ' 11' ' ' THR . 3.0 pt-20 -37.44 -31.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 53' ' ' ARG . 1.5 tpp180 -71.7 84.1 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.26 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mt 62.72 82.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.54 HD11 ' CD2' ' A' ' 59' ' ' HIS . 1.2 tt -115.08 -37.95 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.1 . . . . 0.0 109.38 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 60.6 60.04 2.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.54 ' CD2' HD11 ' A' ' 57' ' ' ILE . 0.2 OUTLIER -102.22 173.02 6.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.64 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.74 -76.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 pp -165.46 -169.91 1.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.41 ' O ' ' CB ' ' A' ' 63' ' ' SER . . . -133.58 -70.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 62' ' ' ALA . 4.0 t 78.76 76.14 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.618 1.199 . . . . 0.0 109.919 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 29' ' ' GLU . 86.9 t -97.99 -106.94 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.662 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.2 OUTLIER -60.04 -49.36 77.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.37 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 0.6 OUTLIER 66.33 84.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 m -153.32 120.18 5.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.401 ' CD ' ' HD3' ' A' ' 70' ' ' PRO . 7.8 tmm_? -175.62 142.98 0.59 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -169.56 89.97 0.56 Allowed Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.135 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.401 ' HD3' ' CD ' ' A' ' 68' ' ' ARG . 18.5 Cg_endo -75.02 174.6 12.52 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -177.07 170.04 2.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 111.052 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.13 149.0 72.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -71.57 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -177.33 139.76 0.26 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.21 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 tp 73.76 120.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.493 0.187 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mt -116.85 144.86 44.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.416 1.073 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -56.66 167.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 179.63 144.5 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.204 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.88 165.04 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.364 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -169.64 85.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -172.48 -60.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 45.45 88.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -177.54 55.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -112.08 -18.97 12.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.721 HG21 ' O ' ' A' ' 54' ' ' GLU . 2.3 m -62.78 -28.19 69.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.114 . . . . 0.0 110.356 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -80.26 -9.4 59.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.47 -37.54 31.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -65.15 -34.96 79.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.613 ' HB3' ' NE1' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -79.71 -46.24 17.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.1 t -47.01 -32.57 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -68.14 -67.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' ALA . 46.9 t -55.37 -18.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.26 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 18' ' ' VAL . 39.9 t0 -38.42 -51.58 1.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mp -51.69 -48.9 63.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 109.354 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 22' ' ' ALA . . . -74.17 -89.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 21' ' ' ALA . . . 72.77 160.93 0.24 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -119.79 -170.91 2.04 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.478 ' C ' HG11 ' A' ' 40' ' ' VAL . . . -153.42 -84.17 0.04 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.449 1.093 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.968 HG13 HG21 ' A' ' 40' ' ' VAL . 1.0 OUTLIER -106.77 -14.83 9.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.417 0.716 . . . . 0.0 109.292 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 25' ' ' VAL . . . -36.71 -35.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.72 ' HA ' HG11 ' A' ' 64' ' ' VAL . 1.9 m-85 -57.83 -49.89 75.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.086 . . . . 0.0 110.948 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' VAL . 17.3 tptt 76.1 2.98 3.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.412 1.07 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -121.12 -10.72 8.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.696 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 0.3 OUTLIER -35.18 94.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 110.256 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.696 ' CD1' ' O ' ' A' ' 30' ' ' ARG . 43.9 p90 40.74 34.75 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 31' ' ' TYR . 17.7 t-20 64.51 57.82 1.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 109.257 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 1.071 ' CE ' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -78.48 140.24 59.91 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.55 ' N ' ' HG3' ' A' ' 33' ' ' MET . 18.4 Cg_endo -75.04 -174.07 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.494 1.786 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.4 m -69.37 57.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.59 HG22 ' HE1' ' A' ' 33' ' ' MET . 79.5 mt -146.58 155.22 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.476 ' HA ' HG21 ' A' ' 25' ' ' VAL . . . -117.28 -19.65 9.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.22 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 42' ' ' ARG . 25.6 tt0 -76.44 -12.16 60.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 110.325 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.071 ' HB3' ' CE ' ' A' ' 33' ' ' MET . . . -101.71 -17.94 16.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.992 HG23 ' SD ' ' A' ' 33' ' ' MET . 0.9 OUTLIER -67.75 -29.87 46.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.395 1.059 . . . . 0.0 109.283 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.43 -36.55 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.319 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.474 ' CD ' ' HA ' ' A' ' 39' ' ' ALA . 3.0 ptm180 -66.17 -32.86 74.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 6.0 mm-40 -85.47 -80.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -159.47 99.95 1.54 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.846 ' HG2' HD23 ' A' ' 48' ' ' LEU . 18.3 Cg_endo -75.01 137.08 21.22 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.793 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 1.8 tm-20 -55.06 -52.17 64.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.663 ' NE2' HD22 ' A' ' 48' ' ' LEU . 11.1 p-80 -47.56 -22.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.649 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.846 HD23 ' HG2' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -85.21 -66.51 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -50.5 -33.27 20.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -72.25 -45.37 60.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.613 ' NE1' ' HB3' ' A' ' 15' ' ' LYS . 1.2 m-90 -75.63 -6.23 49.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 107.983 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' HB2' ' O ' ' A' ' 48' ' ' LEU . 1.3 m-85 -101.75 -42.38 6.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -89.17 -4.75 58.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.721 ' O ' HG21 ' A' ' 11' ' ' THR . 14.1 pt-20 -41.54 -40.22 1.79 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 1.084 . . . . 0.0 110.34 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 mtt85 -45.96 -34.61 4.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.348 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -112.09 -73.93 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 58' ' ' ALA . 0.1 OUTLIER -39.19 -47.46 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.429 ' N ' ' CG2' ' A' ' 57' ' ' ILE . . . 39.45 62.71 1.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ALA . 33.6 t-80 39.3 85.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.083 . . . . 0.0 109.683 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.55 ' O ' HD23 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -76.16 -31.84 58.77 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.51 1.131 . . . . 0.0 110.329 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 60' ' ' ARG . 0.4 OUTLIER 167.19 179.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.43 1.081 . . . . 0.0 109.296 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.457 ' O ' ' CB ' ' A' ' 63' ' ' SER . . . -70.6 -59.61 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.373 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.457 ' CB ' ' O ' ' A' ' 62' ' ' ALA . 1.6 t 81.77 -60.51 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 110.03 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.72 HG11 ' HA ' ' A' ' 27' ' ' PHE . 93.6 t -97.97 -107.53 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.655 ' N ' HG12 ' A' ' 64' ' ' VAL . 0.5 OUTLIER -100.9 -70.84 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 40.88 62.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.99 175.76 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -176.45 114.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD13 ' HD2' ' A' ' 70' ' ' PRO . 0.2 OUTLIER -138.32 112.99 8.71 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.401 ' HD2' HD13 ' A' ' 69' ' ' LEU . 18.2 Cg_endo -75.03 153.08 41.37 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.452 1.764 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -125.57 167.72 14.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.94 101.82 0.33 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 74' ' ' LYS . 18.3 Cg_endo -74.98 109.07 2.86 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' PRO . 21.7 tttp -39.06 -58.95 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.7 tp 57.67 97.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.51 0.195 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 77.78 112.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -179.03 -53.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -43.56 132.49 4.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.603 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 0.5 OUTLIER -175.75 142.48 0.54 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 5' ' ' LEU . . . 169.18 108.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.39 -63.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 45.89 91.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 174.07 56.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -106.62 -9.54 16.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 110.289 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.717 HG21 ' O ' ' A' ' 54' ' ' GLU . 2.9 m -66.62 -54.49 22.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -60.97 -24.01 65.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -34.66 78.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -78.96 -26.98 43.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.548 ' HG3' ' CE3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -79.4 -53.59 6.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.175 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -46.1 -25.01 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.66 HD22 ' N ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -76.04 -59.61 2.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.374 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.865 HG13 ' HB3' ' A' ' 21' ' ' ALA . 36.6 t -65.01 -10.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -40.46 -29.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -82.7 -48.23 11.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.865 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -62.45 -19.91 64.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.674 ' O ' ' HB3' ' A' ' 23' ' ' ALA . . . -39.53 -56.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 109.337 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 22' ' ' ALA . . . 83.97 -72.93 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.564 ' O ' HG13 ' A' ' 40' ' ' VAL . . . 110.54 -35.14 4.98 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.922 HG13 HG21 ' A' ' 40' ' ' VAL . 0.7 OUTLIER -112.75 -12.84 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' HB2' ' CB ' ' A' ' 23' ' ' ALA . . . -34.14 -33.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.538 ' N ' ' O ' ' A' ' 25' ' ' VAL . 46.6 m-85 -104.66 -43.54 5.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.848 ' HB3' HG12 ' A' ' 25' ' ' VAL . 0.1 OUTLIER 37.85 31.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -120.7 -38.85 2.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 110.251 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.46 ' C ' ' O ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -33.72 -35.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.927 ' OH ' HG22 ' A' ' 40' ' ' VAL . 0.5 OUTLIER -124.77 -9.14 7.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 32' ' ' ASN . 15.4 t30 58.26 65.69 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.591 ' HB2' ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -99.26 166.87 12.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.158 . . . . 0.0 110.996 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 36' ' ' ILE . 18.0 Cg_endo -75.08 -176.05 2.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.544 1.813 . . . . 0.0 110.954 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.5 m -67.19 60.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.62 HG22 ' HB3' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -132.25 155.75 41.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 40' ' ' VAL . . . -109.11 -37.08 5.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -61.87 -13.03 20.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.397 1.06 . . . . 0.0 110.234 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.62 ' HB3' HG22 ' A' ' 36' ' ' ILE . . . -105.16 -1.72 25.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.927 HG22 ' OH ' ' A' ' 31' ' ' TYR . 0.9 OUTLIER -85.12 -39.43 14.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.42 -33.06 15.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -24.55 63.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 39' ' ' ALA . 65.1 mm-40 -83.0 -81.7 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.66 109.98 0.68 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.892 ' HB2' HD23 ' A' ' 48' ' ' LEU . 18.1 Cg_endo -75.08 79.11 2.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 110.994 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 45' ' ' PRO . 0.4 OUTLIER -34.06 -33.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.628 ' NE2' ' CD2' ' A' ' 48' ' ' LEU . 8.7 p-80 -56.74 -13.06 2.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 1.084 . . . . 0.0 109.62 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.892 HD23 ' HB2' ' A' ' 45' ' ' PRO . 2.7 mm? -80.51 -48.95 12.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.36 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 50' ' ' SER . 5.8 ptm180 -37.64 -32.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.583 1.177 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 48' ' ' LEU . 2.5 m -91.35 -39.47 12.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.083 . . . . 0.0 110.022 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CE3' ' HG3' ' A' ' 15' ' ' LYS . 1.1 m-90 -71.06 -12.25 61.41 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.582 ' N ' ' O ' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -105.43 -41.63 5.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.431 1.082 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 55' ' ' ARG . 1.0 OUTLIER -88.63 0.22 56.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.717 ' O ' HG21 ' A' ' 11' ' ' THR . 0.7 OUTLIER -39.39 -29.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.46 ' N ' ' OE2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -49.65 -26.4 3.64 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.473 1.108 . . . . 0.0 110.344 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -156.82 79.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 2.0 tt -78.96 -17.05 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.03 97.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.516 ' CD2' ' NH1' ' A' ' 60' ' ' ARG . 9.2 t60 -165.58 -73.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.571 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.516 ' NH1' ' CD2' ' A' ' 59' ' ' HIS . 3.1 ptp85 179.77 -170.29 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.243 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.804 HD13 ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.14 -173.59 2.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.8 -70.31 0.8 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m 64.91 103.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.041 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.688 HG12 ' N ' ' A' ' 65' ' ' ASN . 65.7 t -126.88 -103.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.268 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.688 ' N ' HG12 ' A' ' 64' ' ' VAL . 14.1 t-20 -46.16 -61.49 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.363 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -175.83 94.0 0.06 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.107 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -50.97 11.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 110.016 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.33 173.47 7.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.393 1.058 . . . . 0.0 110.304 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.18 85.24 7.57 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 117.64 4.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.474 1.776 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.59 ' C ' ' CD1' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -70.6 -177.3 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.2 152.49 43.82 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 18.4 Cg_endo -74.94 177.23 8.85 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.533 1.807 . . . . 0.0 111.068 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 73' ' ' PRO . 1.1 mtpt 165.7 165.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 73.95 118.81 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.428 1.08 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 stop_ save_